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

Systemtic Name: [(1S)-2-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C19H25N2OS3+ MolecularWeight: 393.6096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2OS3/c1-21(2)17(16-8-11-23-13-16)12-20-18(22)14-4-6-15(7-5-14)19-24-9-3-10-25-19/h4-8,11,13,17,19H,3,9-10,12H2,1-2H3,(H,20,22)/p+1/t17-/m1/s1