[2-[[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H29N2OS2+ MolecularWeight: 401.60846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C22H28N2OS2/c1-3-24(4-2)16-20-8-6-5-7-19(20)15-23-21(25)17-9-11-18(12-10-17)22-26-13-14-27-22/h5-12,22H,3-4,13-16H2,1-2H3,(H,23,25)/p+1