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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-(prop-2-enylcarbamothioylamino)ethyl]azanium Openeye Name: [(1S)-2-(allylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-1-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-(prop-2-enylcarbamothioylamino)ethyl]azanium Traditional Name: [(1S)-2-(allylthiocarbamoylamino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCC=C)C1=CC=CC=C1

InChI

InChI=1S/C14H21N3S/c1-4-10-15-14(18)16-11-13(17(2)3)12-8-6-5-7-9-12/h4-9,13H,1,10-11H2,2-3H3,(H2,15,16,18)/p+1/t13-/m1/s1