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

Systemtic Name: (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: (E)-3-[2-(1-azepanyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: (E)-3-[2-(azepan-1-yl)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-acrylamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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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)NC3CCCCC3)N4CCCCCC4

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)/C=C(\C#N)/C(=O)NC3CCCCC3)N4CCCCCC4

InChI

InChI=1S/C25H31N5O2/c1-18-10-9-15-30-22(18)28-23(29-13-7-2-3-8-14-29)21(25(30)32)16-19(17-26)24(31)27-20-11-5-4-6-12-20/h9-10,15-16,20H,2-8,11-14H2,1H3,(H,27,31)/p+1/b19-16+