ethyl 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(1H-pyrazol-5-ylmethyl)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)C1(CC[NH+](CC1)CC2=CC=NN2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NN2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H24ClN3O2/c1-2-25-18(24)19(13-15-3-5-16(20)6-4-15)8-11-23(12-9-19)14-17-7-10-21-22-17/h3-7,10H,2,8-9,11-14H2,1H3,(H,21,22)/p+1