ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]isonipecotic acid ethyl ester Formula: C20H27ClN3O2+ MolecularWeight: 376.90028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=C(NC=[NH+]2)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=C(NC=[NH+]2)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3O2/c1-3-26-19(25)20(12-16-4-6-17(21)7-5-16)8-10-24(11-9-20)13-18-15(2)22-14-23-18/h4-7,14H,3,8-13H2,1-2H3,(H,22,23)/p+1