
 CHEMBL397647

 52 54  0  0  0  0  0  0  0  0999 V2000
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    1.7642   -7.2610   -0.1085 C   0  0  0  0  0
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    3.8397   -1.2930    3.9221 H   0  0  0  0  0
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    4.9277   -0.7813   -0.0062 H   0  0  0  0  0
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  1 29  1  0  0  0
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  2 22  1  0  0  0
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  4 35  1  0  0  0
  5  6  2  0  0  0
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  6  7  1  0  0  0
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  7  8  2  0  0  0
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  8  9  1  0  0  0
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M  CHG  1   2   1
M  END

>  <Chemical Name>
CHEMBL397647

>  <PubChem CID>
11502371

>  <Formula>
C21H25Cl2N2O2+

>  <Molecular Weight>
408.343000

>  <IUPAC Name>
[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium

>  <XlogP>
4.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C3CCOCC3

>  <Isomeric SMILES>
C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C3CCOCC3

>  <InChI Std. ID>
InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1

>  <InChI Key>
BXCVNDLGUWFNBK-UHFFFAOYSA-O

