(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-3-indan-5-yloxy-propan-2-ol CAS Name: (2R)-1-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-3-(2,3-dihydro-1H-inden-5-yloxy)-2-propanol IUPAC Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol Traditional Name: (2R)-1-(4-besylpiperazin-1-ium-1-yl)-3-indan-5-yloxy-propan-2-ol Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC(C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OC[C@@H](C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C22H28N2O4S/c25-20(17-28-21-10-9-18-5-4-6-19(18)15-21)16-23-11-13-24(14-12-23)29(26,27)22-7-2-1-3-8-22/h1-3,7-10,15,20,25H,4-6,11-14,16-17H2/p+1/t20-/m1/s1