2-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]ethanoate

Systemtic Name: 2-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]ethanoate Openeye Name: 2-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]acetate CAS Name: 2-[3-[[(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]-1-pyrazolyl]acetate IUPAC Name: 2-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]acetate Traditional Name: 2-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]acetate Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=NN(C=C2)CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=NN(C=C2)CC(=O)[O-]

InChI

InChI=1S/C12H18N4O3/c1-15-5-2-9(3-6-15)13-12(19)10-4-7-16(14-10)8-11(17)18/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,19)(H,17,18)