1-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(3-chlorobenzyl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC(=CC=C3)Cl

InChI

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