ethyl 4-[(4-chlorophenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(1-isopropylpyrazol-4-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=CN(N=C2)C(C)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C(C)C)CC3=CC=C(C=C3)Cl

InChI

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