4-(6-methoxypyridin-3-yl)-4-(1H-pyrazol-5-ylcarbonyl)-2-pyridin-2-yl-1-pyrrolidin-1-yl-piperazine-1,4-diium-1-carboxylic acid

Systemtic Name: 4-(6-methoxypyridin-3-yl)-4-(1H-pyrazol-5-ylcarbonyl)-2-pyridin-2-yl-1-pyrrolidin-1-yl-piperazine-1,4-diium-1-carboxylic acid Openeye Name: 4-(6-methoxy-3-pyridyl)-4-(1H-pyrazole-5-carbonyl)-2-(2-pyridyl)-1-pyrrolidin-1-yl-piperazine-1,4-diium-1-carboxylic acid CAS Name: 4-(6-methoxy-3-pyridinyl)-4-[oxo(1H-pyrazol-5-yl)methyl]-2-(2-pyridinyl)-1-(1-pyrrolidinyl)-1-piperazine-1,4-diiumcarboxylic acid IUPAC Name: 4-(6-methoxypyridin-3-yl)-4-(1H-pyrazole-5-carbonyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylpiperazine-1,4-diium-1-carboxylic acid Traditional Name: 4-(6-methoxy-3-pyridyl)-4-(1H-pyrazole-5-carbonyl)-2-(2-pyridyl)-1-pyrrolidino-piperazine-1,4-diium-1-carboxylic acid Formula: C24H29N7O4+2 MolecularWeight: 479.53156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)[N+]2(CC[N+](C(C2)C3=CC=CC=N3)(C(=O)O)N4CCCC4)C(=O)C5=CC=NN5

Isomeric SMILES

COC1=NC=C(C=C1)[N+]2(CC[N+](C(C2)C3=CC=CC=N3)(C(=O)O)N4CCCC4)C(=O)C5=CC=NN5

InChI

InChI=1S/C24H27N7O4/c1-35-22-8-7-18(16-26-22)30(23(32)20-9-11-27-28-20)14-15-31(24(33)34,29-12-4-5-13-29)21(17-30)19-6-2-3-10-25-19/h2-3,6-11,16,21H,4-5,12-15,17H2,1H3/p+2