1-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-1-[2-(4-chloroanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(4-chloroanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-1-[2-(4-chloroanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C21H19ClN3O2+ MolecularWeight: 380.84746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O2/c22-18-8-10-19(11-9-18)24-20(26)15-25-12-4-7-17(14-25)21(27)23-13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H-,23,24,26,27)/p+1