1-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(4-benzyloxyanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(4-benzoxyanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C21H20N3O3+ MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H19N3O3/c22-21(26)17-7-4-12-24(13-17)14-20(25)23-18-8-10-19(11-9-18)27-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H2-,22,23,25,26)/p+1