ethyl 1-methyl-3-(piperidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-3-(piperidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-3-(piperidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate CAS Name: 1-methyl-3-(1-piperidin-1-iumylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-(piperidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-3-(piperidin-1-ium-1-ylmethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C[NH+]2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C[NH+]2CCCCC2)C

InChI

InChI=1S/C13H21N3O2/c1-3-18-13(17)11-9-15(2)14-12(11)10-16-7-5-4-6-8-16/h9H,3-8,10H2,1-2H3/p+1