1-[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one Openeye Name: 1-[(3S)-3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one CAS Name: 1-[(3S)-3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-propanone IUPAC Name: 1-[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one Traditional Name: 1-[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidino]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CC[N+]3=C(NC=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCCN(C2)C(=O)CC[N+]3=C(NC=C3)C

InChI

InChI=1S/C20H24ClN3O2/c1-14-12-17(21)5-6-18(14)20(26)16-4-3-9-24(13-16)19(25)7-10-23-11-8-22-15(23)2/h5-6,8,11-12,16H,3-4,7,9-10,13H2,1-2H3/p+1/t16-/m0/s1