3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-indole

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-indole Openeye Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-indole CAS Name: 3-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-methylindole IUPAC Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methylindole Traditional Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-indole Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CN(C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CN(C4=CC=CC=C43)C)C

InChI

InChI=1S/C22H27N3O2S/c1-17-8-9-20(14-18(17)2)28(26,27)25-12-10-24(11-13-25)16-19-15-23(3)22-7-5-4-6-21(19)22/h4-9,14-15H,10-13,16H2,1-3H3/p+1