3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-(homoveratrylthiocarbamoylamino)propyl-dimethyl-ammonium Formula: C16H28N3O2S+ MolecularWeight: 326.47742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NCCC1=CC(=C(C=C1)OC)OC

InChI

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