(5R)-1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one CAS Name: (5R)-1-[(2-chlorophenyl)methyl]-5-(4-phenyl-1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5R)-1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-1-(2-chlorobenzyl)-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one Formula: C24H30ClN2O+ MolecularWeight: 397.9608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1[NH+]2CCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1[NH+]2CCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H29ClN2O/c25-23-9-5-4-8-21(23)18-27-17-14-22(10-11-24(27)28)26-15-12-20(13-16-26)19-6-2-1-3-7-19/h1-9,20,22H,10-18H2/p+1/t22-/m1/s1