(2R)-1-[2-methoxy-5-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-5-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCC2=CC=NC=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCC2=CC=NC=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H33N3O3/c1-28-22-6-5-20(16-25-12-9-19-7-10-24-11-8-19)15-23(22)29-18-21(27)17-26-13-3-2-4-14-26/h5-8,10-11,15,21,25,27H,2-4,9,12-14,16-18H2,1H3/p+1/t21-/m1/s1