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

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-(4-tosylpiperazin-1-ium-1-yl)ethanone Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C22H25N3O3S/c1-16-7-9-18(10-8-16)29(27,28)25-13-11-24(12-14-25)15-21(26)22-17(2)23-20-6-4-3-5-19(20)22/h3-10,23H,11-15H2,1-2H3/p+1