3-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-[3-(dimethylammonio)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-chloro-4,6-dimethylphenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium Formula: C19H35ClN4S+2 MolecularWeight: 387.026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33ClN4S/c1-15-13-16(2)18(17(20)14-15)21-19(25)24(11-7-9-22(3)4)12-8-10-23(5)6/h13-14H,7-12H2,1-6H3,(H,21,25)/p+2