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

Systemtic Name: (2R)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2R)-1-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C20H33N3O4S+2 MolecularWeight: 411.55872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(C[NH+]4CCOCC4)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C[C@H](C[NH+]4CCOCC4)O

InChI

InChI=1S/C20H31N3O4S/c24-19(16-22-10-12-27-13-11-22)15-21-6-8-23(9-7-21)28(25,26)20-5-4-17-2-1-3-18(17)14-20/h4-5,14,19,24H,1-3,6-13,15-16H2/p+2/t19-/m1/s1