3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1H-indole Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H23N3O2S/c1-16-6-8-18(9-7-16)26(24,25)23-12-10-22(11-13-23)15-17-14-21-20-5-3-2-4-19(17)20/h2-9,14,21H,10-13,15H2,1H3/p+1