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

Systemtic Name: 6-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]indan-5-ol CAS Name: 6-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]indan-5-ol Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3S/c25-22-16-20-8-4-7-19(20)15-21(22)17-23-10-12-24(13-11-23)28(26,27)14-9-18-5-2-1-3-6-18/h1-3,5-6,9,14-16,25H,4,7-8,10-13,17H2/p+1/b14-9+