(3S)-1-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-[(3-chlorobenzyl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O2/c22-18-8-4-6-16(12-18)13-23-20(26)15-25-11-5-7-17(14-25)21(27)24-19-9-2-1-3-10-19/h1-4,6,8-10,12,17H,5,7,11,13-15H2,(H,23,26)(H,24,27)/p+1/t17-/m0/s1