1-methyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate Openeye Name: 1-methyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=C(C=NN2C)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=C(C=NN2C)C(=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-15-6-4-9(5-7-15)16(2)12(18)11-10(13(19)20)8-14-17(11)3/h8-9H,4-7H2,1-3H3,(H,19,20)