1-[4-[4-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy)phenyl]sulfonylphenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol dichloride

Systemtic Name: 1-[4-[4-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy)phenyl]sulfonylphenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol dichloride Openeye Name: 1-[4-[4-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy)phenyl]sulfonylphenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol dichloride CAS Name: 1-[4-[4-[2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]phenyl]sulfonylphenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol dichloride IUPAC Name: 1-[4-[4-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy)phenyl]sulfonylphenoxy]-3-pyrrolidin-1-ium-1-ylpropan-2-ol dichloride Traditional Name: 1-[4-[4-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy)phenyl]sulfonylphenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol dichloride Formula: C26H38Cl2N2O6S MolecularWeight: 577.56072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC(C[NH+]4CCCC4)O)O.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CC(COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC(C[NH+]4CCCC4)O)O.[Cl-].[Cl-]

InChI

InChI=1S/C26H36N2O6S.2ClH/c29-21(17-27-13-1-2-14-27)19-33-23-5-9-25(10-6-23)35(31,32)26-11-7-24(8-12-26)34-20-22(30)18-28-15-3-4-16-28;;/h5-12,21-22,29-30H,1-4,13-20H2;2*1H