triethyl-[[1-(phenylsulfonyl)indol-3-yl]methyl]azanium bromide

Systemtic Name: triethyl-[[1-(phenylsulfonyl)indol-3-yl]methyl]azanium bromide Openeye Name: [1-(benzenesulfonyl)indol-3-yl]methyl-triethyl-ammonium bromide CAS Name: [1-(benzenesulfonyl)-3-indolyl]methyl-triethylammonium bromide IUPAC Name: [1-(benzenesulfonyl)indol-3-yl]methyl-triethylazanium bromide Traditional Name: (1-besylindol-3-yl)methyl-triethyl-ammonium bromide Formula: C21H27BrN2O2S MolecularWeight: 451.42028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H27N2O2S.BrH/c1-4-23(5-2,6-3)17-18-16-22(21-15-11-10-14-20(18)21)26(24,25)19-12-8-7-9-13-19;/h7-16H,4-6,17H2,1-3H3;1H/q+1;/p-1