6-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

Systemtic Name: 6-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indan-5-ol CAS Name: 6-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indan-5-ol Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C4CCCC4=C3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C4CCCC4=C3)O)C

InChI

InChI=1S/C22H28N2O3S/c1-16-6-7-21(12-17(16)2)28(26,27)24-10-8-23(9-11-24)15-20-13-18-4-3-5-19(18)14-22(20)25/h6-7,12-14,25H,3-5,8-11,15H2,1-2H3/p+1