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

Systemtic Name: (2S)-1-morpholin-4-yl-3-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-morpholino-3-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(4-morpholinyl)-3-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-morpholin-4-yl-3-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-morpholino-3-[3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propan-2-ol Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OCC(CN3CCOCC3)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC[C@H](CN3CCOCC3)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H32N4O3/c28-21(18-26-12-14-29-15-13-26)19-30-22-5-3-4-20(16-22)17-25-8-10-27(11-9-25)23-6-1-2-7-24-23/h1-7,16,21,28H,8-15,17-19H2/p+1/t21-/m0/s1