(5Z)-2-(4,6-dimethylpyrimidin-2-yl)-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethylidene]pyrazolidin-3-one

Systemtic Name: (5Z)-2-(4,6-dimethylpyrimidin-2-yl)-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethylidene]pyrazolidin-3-one Openeye Name: (5Z)-2-(4,6-dimethylpyrimidin-2-yl)-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethylidene]pyrazolidin-3-one CAS Name: (5Z)-2-(4,6-dimethyl-2-pyrimidinyl)-5-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethylidene]-3-pyrazolidinone IUPAC Name: (5Z)-2-(4,6-dimethylpyrimidin-2-yl)-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethylidene]pyrazolidin-3-one Traditional Name: (5Z)-2-(4,6-dimethylpyrimidin-2-yl)-5-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethylidene]pyrazolidin-3-one Formula: C16H23N6O2+ MolecularWeight: 331.39282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)CC(=CC(=O)N3CC[NH+](CC3)C)N2)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C/C(=C/C(=O)N3CC[NH+](CC3)C)/N2)C

InChI

InChI=1S/C16H22N6O2/c1-11-8-12(2)18-16(17-11)22-15(24)10-13(19-22)9-14(23)21-6-4-20(3)5-7-21/h8-9,19H,4-7,10H2,1-3H3/p+1/b13-9-