[(1S)-2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H25N2OS2+ MolecularWeight: 373.5553

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)C2SCCS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)C2SCCS2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS2/c1-22(2)18(15-6-4-3-5-7-15)14-21-19(23)16-8-10-17(11-9-16)20-24-12-13-25-20/h3-11,18,20H,12-14H2,1-2H3,(H,21,23)/p+1/t18-/m1/s1