1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C11H17N3O2 MolecularWeight: 223.27158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C11H17N3O2/c1-13-7-9(6-12-13)8-14-4-2-10(3-5-14)11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)