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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3

InChI

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