4-(4-chlorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-5-pyridin-4-yl-piperazin-4-ium-2-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-5-pyridin-4-yl-piperazin-4-ium-2-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-5-(4-pyridyl)piperazin-4-ium-2-carboxylic acid CAS Name: 4-(4-chlorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-5-pyridin-4-yl-2-piperazin-4-iumcarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-5-pyridin-4-ylpiperazin-4-ium-2-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-5-(4-pyridyl)piperazin-4-ium-2-carboxylic acid Formula: C20H21ClN5O2+ MolecularWeight: 398.86604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](CC1C(=O)O)(C2=CC=C(C=C2)Cl)C3=CC=NN3)C4=CC=NC=C4

Isomeric SMILES

CN1CC([N+](CC1C(=O)O)(C2=CC=C(C=C2)Cl)C3=CC=NN3)C4=CC=NC=C4

InChI

InChI=1S/C20H20ClN5O2/c1-25-12-18(14-6-9-22-10-7-14)26(13-17(25)20(27)28,19-8-11-23-24-19)16-4-2-15(21)3-5-16/h2-11,17-18H,12-13H2,1H3,(H-,23,24,27,28)/p+1