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

Systemtic Name: (2S)-1-[4-[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]sulfonylphenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[4-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]sulfonylphenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[4-[4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]sulfonylphenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]sulfonylphenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[4-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]sulfonylphenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C28H42N2O6S+2 MolecularWeight: 534.70788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC(C[NH+]4CCCCC4)O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC[C@H](C[NH+]4CCCCC4)O)O

InChI

InChI=1S/C28H40N2O6S/c31-23(19-29-15-3-1-4-16-29)21-35-25-7-11-27(12-8-25)37(33,34)28-13-9-26(10-14-28)36-22-24(32)20-30-17-5-2-6-18-30/h7-14,23-24,31-32H,1-6,15-22H2/p+2/t23-,24-/m0/s1