(E)-3-[9-methyl-2-(3-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[9-methyl-2-(3-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[4-keto-9-methyl-2-(3-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C25H25N4O3+ MolecularWeight: 429.491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)/C=C(\C#N)/C(=O)N4CCCCC4

InChI

InChI=1S/C25H24N4O3/c1-17-8-6-10-20(14-17)32-23-21(25(31)29-13-7-9-18(2)22(29)27-23)15-19(16-26)24(30)28-11-4-3-5-12-28/h6-10,13-15H,3-5,11-12H2,1-2H3/p+1/b19-15+