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

Systemtic Name: [3-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[2-(4-methoxyphenyl)ethylthiocarbamoylamino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C17H30N3OS+ MolecularWeight: 324.5046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3OS/c1-17(2,13-20(3)4)12-19-16(22)18-11-10-14-6-8-15(21-5)9-7-14/h6-9H,10-13H2,1-5H3,(H2,18,19,22)/p+1