1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(pyridin-2-ylmethylamino)ethanol hydrochloride

Systemtic Name: 1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(pyridin-2-ylmethylamino)ethanol hydrochloride Openeye Name: 1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(2-pyridylmethylamino)ethanol hydrochloride CAS Name: 1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(2-pyridinylmethylamino)ethanol hydrochloride IUPAC Name: 1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(pyridin-2-ylmethylamino)ethanol hydrochloride Traditional Name: 1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(2-pyridylmethylamino)ethanol hydrochloride Formula: C22H37ClN2O5 MolecularWeight: 444.99258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1C2C(OC1C(CNCC3=CC=CC=N3)O)OC(O2)(C)C.Cl

Isomeric SMILES

CCCCCCCO[C@@H]1[C@@H]2[C@H](O[C@@H]1C(CNCC3=CC=CC=N3)O)OC(O2)(C)C.Cl

InChI

InChI=1S/C22H36N2O5.ClH/c1-4-5-6-7-10-13-26-19-18(27-21-20(19)28-22(2,3)29-21)17(25)15-23-14-16-11-8-9-12-24-16;/h8-9,11-12,17-21,23,25H,4-7,10,13-15H2,1-3H3;1H/t17?,18-,19+,20-,21-;/m1./s1