1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C23H27N3O3S/c1-17-8-10-19(11-9-17)30(28,29)26-13-5-12-25(14-15-26)16-22(27)23-18(2)24-21-7-4-3-6-20(21)23/h3-4,6-11,24H,5,12-16H2,1-2H3/p+1