(4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methylidene-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)pyrazolidin-3-one

Systemtic Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methylidene-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)pyrazolidin-3-one Openeye Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methylene-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)pyrazolidin-3-one CAS Name: (4S)-2-(4,6-dimethyl-2-pyrimidinyl)-5-methylene-4-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-3-pyrazolidinone IUPAC Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methylidene-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)pyrazolidin-3-one Traditional Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methylene-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)pyrazolidin-3-one Formula: C17H27N7O+2 MolecularWeight: 345.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C(C(=C)N2)C=NCC[NH+]3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)[C@@H](C(=C)N2)C=NCC[NH+]3CC[NH2+]CC3)C

InChI

InChI=1S/C17H25N7O/c1-12-10-13(2)21-17(20-12)24-16(25)15(14(3)22-24)11-19-6-9-23-7-4-18-5-8-23/h10-11,15,18,22H,3-9H2,1-2H3/p+2/t15-/m1/s1