2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamothioyl-[1-(2-furyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-chloro-2-methoxy-5-methylanilino)-sulfanylidenemethyl]-[1-(2-furanyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chloro-2-methoxy-5-methyl-phenyl)thiocarbamoyl-[1-(2-furyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C19H27ClN3O2S+ MolecularWeight: 396.95458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=CO2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=CO2

InChI

InChI=1S/C19H26ClN3O2S/c1-13-11-16(18(24-5)12-15(13)20)21-19(26)23(9-8-22(3)4)14(2)17-7-6-10-25-17/h6-7,10-12,14H,8-9H2,1-5H3,(H,21,26)/p+1