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

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-3-ium-2-ylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-3-ium-2-ylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-3-ium-2-ylmethyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(1H-imidazol-3-ium-2-ylmethyl)nipecotic acid ethyl ester Formula: C19H25ClN3O2+ MolecularWeight: 362.8737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=[NH+]C=CN2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=[NH+]C=CN2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H24ClN3O2/c1-2-25-18(24)19(12-15-5-3-6-16(20)11-15)7-4-10-23(14-19)13-17-21-8-9-22-17/h3,5-6,8-9,11H,2,4,7,10,12-14H2,1H3,(H,21,22)/p+1/t19-/m0/s1