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

Systemtic Name: 1-[3-[(1-methylpiperidin-1-ium-4-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylate Openeye Name: 1-[3-[(1-methylpiperidin-1-ium-4-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylate CAS Name: 1-[3-[(1-methyl-4-piperidin-1-iumyl)amino]-3-oxopropyl]-3-pyrazolecarboxylate IUPAC Name: 1-[3-[(1-methylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]pyrazole-3-carboxylate Traditional Name: 1-[3-keto-3-[(1-methylpiperidin-1-ium-4-yl)amino]propyl]pyrazole-3-carboxylate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)CCN2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)CCN2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-16-6-2-10(3-7-16)14-12(18)5-9-17-8-4-11(15-17)13(19)20/h4,8,10H,2-3,5-7,9H2,1H3,(H,14,18)(H,19,20)