[(3S,3aR,6S,6aS)-3-[4-(1-phenyl-1,2,3,4-tetrazol-5-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-(1-phenyl-1,2,3,4-tetrazol-5-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-(1-phenyltetrazol-5-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-(1-phenyl-5-tetrazolyl)-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-(1-phenyltetrazol-5-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-(1-phenyltetrazol-5-yl)piperazino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester hydrochloride Formula: C17H22ClN7O5 MolecularWeight: 439.85348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2COC3C2OCC3O[N+](=O)[O-])C4=NN=NN4C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C4=NN=NN4C5=CC=CC=C5.Cl

InChI

InChI=1S/C17H21N7O5.ClH/c25-24(26)29-14-11-28-15-13(10-27-16(14)15)21-6-8-22(9-7-21)17-18-19-20-23(17)12-4-2-1-3-5-12;/h1-5,13-16H,6-11H2;1H/t13-,14-,15+,16+;/m0./s1