N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)C1=CNC2=CC=CC=[N+]2C1=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCNC(=O)C1=CNC2=CC=CC=[N+]2C1=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C20H22N4O2/c1-3-23(16-8-6-7-15(2)13-16)12-10-21-19(25)17-14-22-18-9-4-5-11-24(18)20(17)26/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,21,25)/p+1