ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H25ClN3O2+ MolecularWeight: 362.8737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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