ethyl 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H25ClN3O2+ MolecularWeight: 362.8737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C19H24ClN3O2/c1-3-25-19(24)14-7-9-23(10-8-14)13-16-12-22(2)21-18(16)15-5-4-6-17(20)11-15/h4-6,11-12,14H,3,7-10,13H2,1-2H3/p+1