1-[(2S)-2-oxidanyl-3-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2S)-2-oxidanyl-3-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2S)-2-hydroxy-3-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2S)-2-hydroxy-3-[3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2S)-2-hydroxy-3-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2S)-2-hydroxy-3-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-ol Formula: C24H37N4O3+3 MolecularWeight: 429.57558

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC(COC2=CC=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

C1C[NH+](CCC1O)C[C@@H](COC2=CC=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C24H34N4O3/c29-21-7-10-26(11-8-21)18-22(30)19-31-23-5-3-4-20(16-23)17-27-12-14-28(15-13-27)24-6-1-2-9-25-24/h1-6,9,16,21-22,29-30H,7-8,10-15,17-19H2/p+3/t22-/m0/s1