(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-indan-5-yloxy-3-[4-(1-piperidylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(1-piperidinylsulfonyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-indan-5-yloxy-3-(4-piperidinosulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC4=C(CCC4)C=C3)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H](COC3=CC4=C(CCC4)C=C3)O

InChI

InChI=1S/C21H33N3O4S/c25-20(17-28-21-8-7-18-5-4-6-19(18)15-21)16-22-11-13-24(14-12-22)29(26,27)23-9-2-1-3-10-23/h7-8,15,20,25H,1-6,9-14,16-17H2/p+1/t20-/m0/s1