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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-[3-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-[3-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-[3-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-[3-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-[3-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC=CC(=C2)CNCCC3=CC=NC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)CNCCC3=CC=NC=C3)O

InChI

InChI=1S/C23H33N3O2/c27-22(18-26-14-3-1-2-4-15-26)19-28-23-7-5-6-21(16-23)17-25-13-10-20-8-11-24-12-9-20/h5-9,11-12,16,22,25,27H,1-4,10,13-15,17-19H2/p+1/t22-/m0/s1