[4-[(3-chloranyl-4-methyl-phenyl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium chloride

Systemtic Name: [4-[(3-chloranyl-4-methyl-phenyl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium chloride Openeye Name: [4-[(3-chloro-4-methyl-benzoyl)amino]phenyl]methyl-cyclohexyl-dimethyl-ammonium chloride CAS Name: [4-[[(3-chloro-4-methylphenyl)-oxomethyl]amino]phenyl]methyl-cyclohexyl-dimethylammonium chloride IUPAC Name: [4-[(3-chloro-4-methylbenzoyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium chloride Traditional Name: [4-[(3-chloro-4-methyl-benzoyl)amino]benzyl]-cyclohexyl-dimethyl-ammonium chloride Formula: C23H30Cl2N2O MolecularWeight: 421.4031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[N+](C)(C)C3CCCCC3)Cl.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[N+](C)(C)C3CCCCC3)Cl.[Cl-]

InChI

InChI=1S/C23H29ClN2O.ClH/c1-17-9-12-19(15-22(17)24)23(27)25-20-13-10-18(11-14-20)16-26(2,3)21-7-5-4-6-8-21;/h9-15,21H,4-8,16H2,1-3H3;1H