1-[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[4-[(4-methoxyanilino)-oxomethyl]anilino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]pyridin-1-ium-3-carboxamide Formula: C22H21N4O4+ MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C22H20N4O4/c1-30-19-10-8-18(9-11-19)25-22(29)15-4-6-17(7-5-15)24-20(27)14-26-12-2-3-16(13-26)21(23)28/h2-13H,14H2,1H3,(H3-,23,24,25,27,28,29)/p+1