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

Systemtic Name: (E)-3-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[4-oxo-2-(4-phenyl-1-piperazinyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[4-keto-2-(4-phenylpiperazino)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C27H29N6O2+ MolecularWeight: 469.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC2=C(NC3=CC=CC=[N+]3C2=O)N4CCN(CC4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C/C2=C(NC3=CC=CC=[N+]3C2=O)N4CCN(CC4)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C27H28N6O2/c28-20-21(26(34)32-12-6-2-7-13-32)19-23-25(29-24-11-5-8-14-33(24)27(23)35)31-17-15-30(16-18-31)22-9-3-1-4-10-22/h1,3-5,8-11,14,19H,2,6-7,12-13,15-18H2/p+1/b21-19+