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

Systemtic Name: [(1S)-2-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H27N2OS2+ MolecularWeight: 387.58188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)C2SCCCS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)C2SCCCS2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS2/c1-23(2)19(16-7-4-3-5-8-16)15-22-20(24)17-9-11-18(12-10-17)21-25-13-6-14-26-21/h3-5,7-12,19,21H,6,13-15H2,1-2H3,(H,22,24)/p+1/t19-/m1/s1