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

Systemtic Name: [2-[[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C23H31N2OS2+ MolecularWeight: 415.63504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2OS2/c1-3-25(4-2)17-21-9-6-5-8-20(21)16-24-22(26)18-10-12-19(13-11-18)23-27-14-7-15-28-23/h5-6,8-13,23H,3-4,7,14-17H2,1-2H3,(H,24,26)/p+1