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

Systemtic Name: (2R)-2-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate Openeye Name: (2R)-2-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate CAS Name: (2R)-2-[3-[[(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: (2R)-2-[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazol-1-yl]propanoate Traditional Name: (2R)-2-[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:

CC(C(=O)[O-])N1C=CC(=N1)C(=O)NC2CC[NH+](CC2)C

Isomeric SMILES

C[C@H](C(=O)[O-])N1C=CC(=N1)C(=O)NC2CC[NH+](CC2)C

InChI

InChI=1S/C13H20N4O3/c1-9(13(19)20)17-8-5-11(15-17)12(18)14-10-3-6-16(2)7-4-10/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,18)(H,19,20)/t9-/m1/s1