
 CHEMBL302297

 84 89  0  0  0  0  0  0  0  0999 V2000
    0.0675    6.5644    2.9875 C   0  0  0  0  0
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M  CHG  2   5   1   8  -1
M  END

>  <Chemical Name>
CHEMBL302297

>  <PubChem CID>
10555563

>  <Formula>
C34H40N4O6

>  <Molecular Weight>
600.716000

>  <IUPAC Name>
1-[1-[4-[1-[(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=[N+](C=C1)[O-])C)CN2CCC(CC2)OC3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)OC

>  <Isomeric SMILES>
CC1=C(C(=[N+](C=C1)[O-])C)CN2CCC(CC2)OC3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)OC

>  <InChI Std. ID>
InChI=1S/C34H40N4O6/c1-23-10-19-37(41)24(2)30(23)21-35-15-13-27(14-16-35)44-28-8-9-29(32(20-28)42-3)33(39)36-17-11-26(12-18-36)38-31-7-5-4-6-25(31)22-43-34(38)40/h4-10,19-20,26-27H,11-18,21-22H2,1-3H3

>  <InChI Key>
DECUNECFRZAJTC-UHFFFAOYSA-N

