1-methyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]indole

Systemtic Name: 1-methyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]indole Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1-methyl-indole CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-1-methylindole IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1-methylindole Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-1-methyl-indole Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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