3-[3-(2,4-dimethylphenyl)propylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(2,4-dimethylphenyl)propylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-(2,4-dimethylphenyl)propylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-(2,4-dimethylphenyl)propylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(2,4-dimethylphenyl)propylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[3-(2,4-dimethylphenyl)propylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H30N3S+ MolecularWeight: 308.5052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3S/c1-14-8-9-16(15(2)13-14)7-5-10-18-17(21)19-11-6-12-20(3)4/h8-9,13H,5-7,10-12H2,1-4H3,(H2,18,19,21)/p+1