dimethyl-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]-(phenylmethyl)azanium bromide

Systemtic Name: dimethyl-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]-(phenylmethyl)azanium bromide Openeye Name: benzyl-dimethyl-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]ammonium bromide CAS Name: dimethyl-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-dimethyl-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]azanium bromide Traditional Name: benzyl-dimethyl-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]ammonium bromide Formula: C21H28BrN3O2S MolecularWeight: 466.43492

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H28N3O2S.BrH/c1-22-27(25,26)16-18-9-10-21-20(13-18)19(14-23-21)11-12-24(2,3)15-17-7-5-4-6-8-17;/h4-10,13-14,22-23H,11-12,15-16H2,1-3H3;1H/q+1;/p-1