dimethyl-[[2-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[(1-methylsulfonylindoline-5-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[(1-mesylindoline-5-carbonyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O3S/c1-22(2)14-18-7-5-4-6-17(18)13-21-20(24)16-8-9-19-15(12-16)10-11-23(19)27(3,25)26/h4-9,12H,10-11,13-14H2,1-3H3,(H,21,24)/p+1