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

Systemtic Name: [4-[[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[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=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C23H30N2OS2/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-22(26)20-10-12-21(13-11-20)23-27-14-5-15-28-23/h6-13,23H,3-5,14-17H2,1-2H3,(H,24,26)/p+1