1-[(2R)-3-[4-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2R)-3-[4-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-[[2-(3-pyridyl)ethylamino]methyl]phenoxy]propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-[[2-(3-pyridinyl)ethylamino]methyl]phenoxy]propyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-[[2-(3-pyridyl)ethylamino]methyl]phenoxy]propyl]piperidin-1-ium-4-ol Formula: C23H34N3O4+ MolecularWeight: 416.53376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)CNCCC3=CN=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)CNCCC3=CN=CC=C3

InChI

InChI=1S/C23H33N3O4/c1-29-22-4-5-23(30-17-21(28)16-26-11-7-20(27)8-12-26)19(13-22)15-25-10-6-18-3-2-9-24-14-18/h2-5,9,13-14,20-21,25,27-28H,6-8,10-12,15-17H2,1H3/p+1/t21-/m1/s1