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

Systemtic Name: 3-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-[[(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propionate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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