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

Systemtic Name: 3-[4-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate CAS Name: 3-[4-[[(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(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=CN(N=C2)CCC(=O)[O-]

Isomeric SMILES

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

InChI

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