[(1S)-2-(cyclohexylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(cyclohexylthiocarbamoylamino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1CCCCC1)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H27N3S/c1-20(2)16(14-9-5-3-6-10-14)13-18-17(21)19-15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,4,7-8,11-13H2,1-2H3,(H2,18,19,21)/p+1/t16-/m1/s1