(5S)-1-(phenylmethyl)-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one

Systemtic Name: (5S)-1-(phenylmethyl)-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one Openeye Name: (5S)-1-benzyl-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one CAS Name: (5S)-1-(phenylmethyl)-5-[(3S)-3-phenyl-1-piperidin-1-iumyl]-2-azepanone IUPAC Name: (5S)-1-benzyl-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one Traditional Name: (5S)-1-benzyl-5-[(3S)-3-phenylpiperidin-1-ium-1-yl]azepan-2-one Formula: C24H31N2O+ MolecularWeight: 363.51574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O/c27-24-14-13-23(15-17-26(24)18-20-8-3-1-4-9-20)25-16-7-12-22(19-25)21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2/p+1/t22-,23+/m1/s1