(5R)-1-[(2-chlorophenyl)methyl]-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one

Systemtic Name: (5R)-1-[(2-chlorophenyl)methyl]-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one Openeye Name: (5R)-1-[(2-chlorophenyl)methyl]-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one CAS Name: (5R)-1-[(2-chlorophenyl)methyl]-5-[(3S)-3-phenyl-1-piperidin-1-iumyl]-2-azepanone IUPAC Name: (5R)-1-[(2-chlorophenyl)methyl]-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one Traditional Name: (5R)-1-(2-chlorobenzyl)-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one Formula: C24H30ClN2O+ MolecularWeight: 397.9608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCC(=O)N(CC2)CC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](C[NH+](C1)[C@@H]2CCC(=O)N(CC2)CC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H29ClN2O/c25-23-11-5-4-9-21(23)18-27-16-14-22(12-13-24(27)28)26-15-6-10-20(17-26)19-7-2-1-3-8-19/h1-5,7-9,11,20,22H,6,10,12-18H2/p+1/t20-,22-/m1/s1