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

Systemtic Name: (5R)-1-[(4-chlorophenyl)methyl]-5-[(4R)-4-phenylazepan-1-ium-1-yl]azepan-2-one Openeye Name: (5R)-1-[(4-chlorophenyl)methyl]-5-[(4R)-4-phenylazepan-1-ium-1-yl]azepan-2-one CAS Name: (5R)-1-[(4-chlorophenyl)methyl]-5-[(4R)-4-phenyl-1-azepan-1-iumyl]-2-azepanone IUPAC Name: (5R)-1-[(4-chlorophenyl)methyl]-5-[(4R)-4-phenylazepan-1-ium-1-yl]azepan-2-one Traditional Name: (5R)-1-(4-chlorobenzyl)-5-[(4R)-4-phenylazepan-1-ium-1-yl]azepan-2-one Formula: C25H32ClN2O+ MolecularWeight: 411.98738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](CC[NH+](C1)[C@@H]2CCC(=O)N(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H31ClN2O/c26-23-10-8-20(9-11-23)19-28-18-15-24(12-13-25(28)29)27-16-4-7-22(14-17-27)21-5-2-1-3-6-21/h1-3,5-6,8-11,22,24H,4,7,12-19H2/p+1/t22-,24-/m1/s1