2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylthiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C19H34N3S+ MolecularWeight: 336.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=S)NCC[NH+](C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=S)NCC[NH+](C)C)C)C(C)(C)C

InChI

InChI=1S/C19H33N3S/c1-14-12-16(19(3,4)5)13-15(2)17(14)8-9-20-18(23)21-10-11-22(6)7/h12-13H,8-11H2,1-7H3,(H2,20,21,23)/p+1