ethyl 4-[(4-chlorophenyl)methyl]-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31ClN3O2+ MolecularWeight: 404.95344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CCN2C=CC=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CCN2C=CC=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H30ClN3O2/c1-3-28-21(27)22(17-19-5-7-20(23)8-6-19)10-15-25(16-11-22)18(2)9-14-26-13-4-12-24-26/h4-8,12-13,18H,3,9-11,14-17H2,1-2H3/p+1/t18-/m1/s1