ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31ClN3O2+ MolecularWeight: 404.95344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O2/c1-4-28-21(27)22(14-17-5-7-18(23)8-6-17)9-11-26(12-10-22)15-19-13-20(16(2)3)25-24-19/h5-8,13,16H,4,9-12,14-15H2,1-3H3,(H,24,25)/p+1