methyl (E)-2-cyano-3-(4-oxidanylidene-2-pyrrolidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-(4-oxidanylidene-2-pyrrolidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(4-oxo-2-pyrrolidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[4-oxo-2-(1-pyrrolidinyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(4-oxo-2-pyrrolidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-keto-2-pyrrolidino-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acrylic acid methyl ester Formula: C17H17N4O3+ MolecularWeight: 325.34188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(NC2=CC=CC=[N+]2C1=O)N3CCCC3)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=C(NC2=CC=CC=[N+]2C1=O)N3CCCC3)/C#N

InChI

InChI=1S/C17H16N4O3/c1-24-17(23)12(11-18)10-13-15(20-7-4-5-8-20)19-14-6-2-3-9-21(14)16(13)22/h2-3,6,9-10H,4-5,7-8H2,1H3/p+1/b12-10+