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

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-[(2-ethyl-5-methyl-1H-imidazol-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:

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)(CC3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)(CC3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C22H30ClN3O2/c1-4-20-24-16(3)19(25-20)15-26-12-10-22(11-13-26,21(27)28-5-2)14-17-8-6-7-9-18(17)23/h6-9H,4-5,10-15H2,1-3H3,(H,24,25)/p+1