1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2-benzylanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2-benzylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2-benzylanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C21H20N3O2+ MolecularWeight: 346.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H19N3O2/c22-21(26)18-10-6-12-24(14-18)15-20(25)23-19-11-5-4-9-17(19)13-16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H2-,22,23,25,26)/p+1