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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

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