[(3S,3aR,6S,6aS)-3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride

Systemtic Name: [(3S,3aR,6S,6aS)-3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride Openeye Name: [(3S,3aR,6S,6aS)-3-[4-(pyridine-3-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride CAS Name: nitric acid [(3S,3aR,6S,6aS)-3-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester hydrochloride IUPAC Name: [(3S,3aR,6S,6aS)-3-[4-(pyridine-3-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride Traditional Name: nitric acid [(3S,3aR,6S,6aS)-3-(4-nicotinoylpiperazino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester hydrochloride Formula: C16H21ClN4O6 MolecularWeight: 400.81414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2COC3C2OCC3O[N+](=O)[O-])C(=O)C4=CN=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C(=O)C4=CN=CC=C4.Cl

InChI

InChI=1S/C16H20N4O6.ClH/c21-16(11-2-1-3-17-8-11)19-6-4-18(5-7-19)12-9-24-15-13(26-20(22)23)10-25-14(12)15;/h1-3,8,12-15H,4-7,9-10H2;1H/t12-,13-,14+,15+;/m0./s1