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

Systemtic Name: (E)-3-(4-oxidanylidene-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-keto-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-(piperidine-1-carbonyl)acrylonitrile Formula: C23H21N4O3+ MolecularWeight: 401.43784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC2=C(NC3=CC=CC=[N+]3C2=O)OC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C/C2=C(NC3=CC=CC=[N+]3C2=O)OC4=CC=CC=C4)/C#N

InChI

InChI=1S/C23H20N4O3/c24-16-17(22(28)26-12-6-2-7-13-26)15-19-21(30-18-9-3-1-4-10-18)25-20-11-5-8-14-27(20)23(19)29/h1,3-5,8-11,14-15H,2,6-7,12-13H2/p+1/b17-15+