[(3S,3aR,6S,6aS)-3-[4-(1H-benzimidazol-2-yl)piperazin-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-(1H-benzimidazol-2-yl)piperazin-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-(1H-benzimidazol-2-yl)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-(1H-benzimidazol-2-yl)-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-(1H-benzimidazol-2-yl)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-(1H-benzimidazol-2-yl)piperazino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester hydrochloride Formula: C17H22ClN5O5 MolecularWeight: 411.84008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2COC3C2OCC3O[N+](=O)[O-])C4=NC5=CC=CC=C5N4.Cl

Isomeric SMILES

C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C4=NC5=CC=CC=C5N4.Cl

InChI

InChI=1S/C17H21N5O5.ClH/c23-22(24)27-14-10-26-15-13(9-25-16(14)15)20-5-7-21(8-6-20)17-18-11-3-1-2-4-12(11)19-17;/h1-4,13-16H,5-10H2,(H,18,19);1H/t13-,14-,15+,16+;/m0./s1