2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[homoveratryl(methyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C16H28N3O2S+ MolecularWeight: 326.47742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N(C)CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[NH+](C)CCNC(=S)N(C)CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H27N3O2S/c1-18(2)11-9-17-16(22)19(3)10-8-13-6-7-14(20-4)15(12-13)21-5/h6-7,12H,8-11H2,1-5H3,(H,17,22)/p+1