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

Systemtic Name: (E)-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[2-(4-ethyl-1-piperazin-4-iumyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[2-(4-ethylpiperazin-4-ium-1-yl)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C24H32N6O2+2 MolecularWeight: 436.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)N4CCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)/C=C(\C#N)/C(=O)N4CCCCC4

InChI

InChI=1S/C24H30N6O2/c1-3-27-12-14-28(15-13-27)22-20(24(32)30-11-7-8-18(2)21(30)26-22)16-19(17-25)23(31)29-9-5-4-6-10-29/h7-8,11,16H,3-6,9-10,12-15H2,1-2H3/p+2/b19-16+