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

Systemtic Name: cyclohexyl-[[2-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-[[4-(1,3-dithian-2-yl)benzoyl]amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-[[4-(1,3-dithian-2-yl)benzoyl]amino]phenyl]methyl]-methylazanium Traditional Name: cyclohexyl-[2-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzyl]-methyl-ammonium Formula: C25H33N2OS2+ MolecularWeight: 441.67232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C3SCCCS3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C3SCCCS3)C4CCCCC4

InChI

InChI=1S/C25H32N2OS2/c1-27(22-9-3-2-4-10-22)18-21-8-5-6-11-23(21)26-24(28)19-12-14-20(15-13-19)25-29-16-7-17-30-25/h5-6,8,11-15,22,25H,2-4,7,9-10,16-18H2,1H3,(H,26,28)/p+1