ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]isonipecotic acid ethyl ester Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCC(CC2)(CC3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC(CC2)(CC3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C21H28ClN3O2/c1-3-25-14-11-23-19(25)16-24-12-9-21(10-13-24,20(26)27-4-2)15-17-5-7-18(22)8-6-17/h5-8,11,14H,3-4,9-10,12-13,15-16H2,1-2H3/p+1