4-[4-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]piperazin-4-ium-1-yl]phenol Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C25H35N3O3/c29-23-8-6-22(7-9-23)28-16-14-27(15-17-28)18-21-4-10-25(11-5-21)31-20-24(30)19-26-12-2-1-3-13-26/h4-11,24,29-30H,1-3,12-20H2/p+2/t24-/m0/s1