1,3-dimethyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrazole-4-carboxylic acid

Systemtic Name: 1,3-dimethyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrazole-4-carboxylic acid Openeye Name: 1,3-dimethyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrazole-4-carboxylic acid CAS Name: 1,3-dimethyl-5-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-4-pyrazolecarboxylic acid IUPAC Name: 1,3-dimethyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrazole-4-carboxylic acid Traditional Name: 1,3-dimethyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrazole-4-carboxylic acid Formula: C13H23N4O2+ MolecularWeight: 267.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)N(C)C2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)N(C)C2CC[NH+](CC2)C)C

InChI

InChI=1S/C13H22N4O2/c1-9-11(13(18)19)12(17(4)14-9)16(3)10-5-7-15(2)8-6-10/h10H,5-8H2,1-4H3,(H,18,19)/p+1