
 BDBM50088375

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M  CHG  1  13   1
M  END

>  <Chemical Name>
BDBM50088375

>  <PubChem CID>
44307889

>  <Formula>
C30H37N2O2+

>  <Molecular Weight>
457.638000

>  <IUPAC Name>
N-methyl-2,3-diphenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-ium-1-yl-1-oxaspiro[4.5]decan-8-yl]cycloprop-2-ene-1-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C1CCC2(CCCO2)CC1[NH+]3CCCC3)C(=O)C4C(=C4C5=CC=CC=C5)C6=CC=CC=C6

>  <Isomeric SMILES>
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]3CCCC3)C(=O)C4C(=C4C5=CC=CC=C5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/p+1/t24-,25-,30-/m0/s1

>  <InChI Key>
DVBJTNONUUBBIZ-QRQMUESOSA-O

