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

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[[2-(3-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-[3-[[2-(3-pyridinyl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[[2-(3-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCC3=CN=CC=C3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNCCC3=CN=CC=C3)O

InChI

InChI=1S/C23H34N4O2/c1-2-26-11-13-27(14-12-26)18-22(28)19-29-23-7-3-5-21(15-23)17-25-10-8-20-6-4-9-24-16-20/h3-7,9,15-16,22,25,28H,2,8,10-14,17-19H2,1H3/p+1/t22-/m0/s1