methyl (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(1-azepanyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(azepan-1-yl)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-acrylic acid methyl ester Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=C(C#N)C(=O)OC)N3CCCCCC3

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)/C=C(\C#N)/C(=O)OC)N3CCCCCC3

InChI

InChI=1S/C20H22N4O3/c1-14-8-7-11-24-17(14)22-18(23-9-5-3-4-6-10-23)16(19(24)25)12-15(13-21)20(26)27-2/h7-8,11-12H,3-6,9-10H2,1-2H3/p+1/b15-12+