3-[2-(2-methoxy-5-methyl-phenyl)ethylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(2-methoxy-5-methyl-phenyl)ethylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[2-(2-methoxy-5-methyl-phenyl)ethylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[2-(2-methoxy-5-methylphenyl)ethylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[2-(2-methoxy-5-methyl-phenyl)ethylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H28N3OS+ MolecularWeight: 310.47802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C16H27N3OS/c1-13-6-7-15(20-4)14(12-13)8-10-18-16(21)17-9-5-11-19(2)3/h6-7,12H,5,8-11H2,1-4H3,(H2,17,18,21)/p+1