(E)-3-[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-[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-[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-[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-[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-2-(3-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C24H23N4O3+ MolecularWeight: 415.46442

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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#N)C(=O)N4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3/c1-17-8-7-9-19(14-17)31-22-20(24(30)28-13-6-3-10-21(28)26-22)15-18(16-25)23(29)27-11-4-2-5-12-27/h3,6-10,13-15H,2,4-5,11-12H2,1H3/p+1/b18-15+