(Z)-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-[9-methyl-2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-[4-keto-9-methyl-2-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)N3CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)/C=C(/C#N)\C(=O)N3CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H28N6O2/c1-17-7-6-10-29-20(17)25-21(27-13-11-26(2)12-14-27)19(23(29)31)15-18(16-24)22(30)28-8-4-3-5-9-28/h6-7,10,15H,3-5,8-9,11-14H2,1-2H3/p+1/b18-15-