1-(6-methoxypyridin-3-yl)-2-(1H-pyrazol-5-ylcarbonyl)-5-pyridin-2-yl-4-pyrrolidin-1-yl-piperazin-1-ium-1-carboxylic acid

Systemtic Name: 1-(6-methoxypyridin-3-yl)-2-(1H-pyrazol-5-ylcarbonyl)-5-pyridin-2-yl-4-pyrrolidin-1-yl-piperazin-1-ium-1-carboxylic acid Openeye Name: 1-(6-methoxy-3-pyridyl)-2-(1H-pyrazole-5-carbonyl)-5-(2-pyridyl)-4-pyrrolidin-1-yl-piperazin-1-ium-1-carboxylic acid CAS Name: 1-(6-methoxy-3-pyridinyl)-2-[oxo(1H-pyrazol-5-yl)methyl]-5-(2-pyridinyl)-4-(1-pyrrolidinyl)-1-piperazin-1-iumcarboxylic acid IUPAC Name: 1-(6-methoxypyridin-3-yl)-2-(1H-pyrazole-5-carbonyl)-5-pyridin-2-yl-4-pyrrolidin-1-ylpiperazin-1-ium-1-carboxylic acid Traditional Name: 1-(6-methoxy-3-pyridyl)-2-(1H-pyrazole-5-carbonyl)-5-(2-pyridyl)-4-pyrrolidino-piperazin-1-ium-1-carboxylic acid Formula: C24H28N7O4+ MolecularWeight: 478.52362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)[N+]2(CC(N(CC2C(=O)C3=CC=NN3)N4CCCC4)C5=CC=CC=N5)C(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)[N+]2(CC(N(CC2C(=O)C3=CC=NN3)N4CCCC4)C5=CC=CC=N5)C(=O)O

InChI

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