2-[(2,5-dimethylphenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[1-(2-furyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]-[1-(2-furanyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[1-(furan-2-yl)ethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2,5-dimethylphenyl)thiocarbamoyl-[1-(2-furyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=CO2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=CO2

InChI

InChI=1S/C19H27N3OS/c1-14-8-9-15(2)17(13-14)20-19(24)22(11-10-21(4)5)16(3)18-7-6-12-23-18/h6-9,12-13,16H,10-11H2,1-5H3,(H,20,24)/p+1