[(1S)-2-(cyclohexylcarbamothioylamino)-1-pyridin-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-(cyclohexylthiocarbamoylamino)-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C16H27N4S+ MolecularWeight: 307.47738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4S/c1-20(2)15(13-7-6-10-17-11-13)12-18-16(21)19-14-8-4-3-5-9-14/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H2,18,19,21)/p+1/t15-/m1/s1