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

Systemtic Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]indan-5-ol CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]indan-5-ol Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=C(C=C4CCCC4=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=C(C=C4CCCC4=C3)O

InChI

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