2-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)carbamothioyl-[1-(2-furyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-[1-(2-furanyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl-[1-(2-furyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C18H25ClN3O2S+ MolecularWeight: 382.928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)N(CC[NH+](C)C)C(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C1=CC=CO1)N(CC[NH+](C)C)C(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C18H24ClN3O2S/c1-13(16-6-5-11-24-16)22(10-9-21(2)3)18(25)20-14-7-8-17(23-4)15(19)12-14/h5-8,11-13H,9-10H2,1-4H3,(H,20,25)/p+1