2-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(3-chloro-4-methyl-phenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(3-chloro-4-methylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C19H25ClN3S+ MolecularWeight: 362.9399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C19H24ClN3S/c1-15-9-10-17(13-18(15)20)21-19(24)23(12-11-22(2)3)14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,21,24)/p+1