2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-phenol Formula: C22H29N2O3S+ MolecularWeight: 401.54226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

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