2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-2-methyl-phenyl)carbamothioyl-[1-(2-furyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-[1-(2-furanyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-2-methylphenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-[1-(2-furyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C18H25ClN3OS+ MolecularWeight: 366.9286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3OS/c1-13-15(19)7-5-8-16(13)20-18(24)22(11-10-21(3)4)14(2)17-9-6-12-23-17/h5-9,12,14H,10-11H2,1-4H3,(H,20,24)/p+1