1-[2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-[(1-methyl-4-piperidin-1-iumyl)amino]-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-keto-2-[(1-methylpiperidin-1-ium-4-yl)amino]ethyl]pyrazole-3-carboxylate Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)CN2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)CN2C=CC(=N2)C(=O)[O-]

InChI

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