ethyl (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CN(N=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CN(N=C2)C

InChI

InChI=1S/C13H21N3O2/c1-3-18-13(17)12-5-4-6-16(10-12)9-11-7-14-15(2)8-11/h7-8,12H,3-6,9-10H2,1-2H3/p+1/t12-/m0/s1