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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H26N2OS2/c1-23(2)15-19(16-7-4-3-5-8-16)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