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

Systemtic Name: 6-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]indan-5-ol CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[(4-tosylpiperazin-1-ium-1-yl)methyl]indan-5-ol Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-16-5-7-20(8-6-16)27(25,26)23-11-9-22(10-12-23)15-19-13-17-3-2-4-18(17)14-21(19)24/h5-8,13-14,24H,2-4,9-12,15H2,1H3/p+1