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

Systemtic Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-morpholin-4-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-indan-5-yloxy-3-(4-morpholinosulfonylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(4-morpholinylsulfonyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-morpholin-4-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-indan-5-yloxy-3-(4-morpholinosulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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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)N4CCOCC4)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OC[C@H](C[NH+]3CCN(CC3)S(=O)(=O)N4CCOCC4)O

InChI

InChI=1S/C20H31N3O5S/c24-19(16-28-20-5-4-17-2-1-3-18(17)14-20)15-21-6-8-22(9-7-21)29(25,26)23-10-12-27-13-11-23/h4-5,14,19,24H,1-3,6-13,15-16H2/p+1/t19-/m0/s1