(2S)-1-piperidin-1-ium-1-yl-3-[2-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-[2-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2CNCCC3=CC=NC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2CNCCC3=CC=NC=C3)O

InChI

InChI=1S/C22H31N3O2/c26-21(17-25-14-4-1-5-15-25)18-27-22-7-3-2-6-20(22)16-24-13-10-19-8-11-23-12-9-19/h2-3,6-9,11-12,21,24,26H,1,4-5,10,13-18H2/p+1/t21-/m0/s1