[(3S,3aR,6S,6aS)-3-[4-(1,3-benzothiazol-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-(1,3-benzothiazol-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-(1,3-benzothiazol-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-(1,3-benzothiazol-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-(1,3-benzothiazol-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-(1,3-benzothiazol-2-yl)piperazino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester hydrochloride Formula: C17H21ClN4O5S MolecularWeight: 428.89044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2COC3C2OCC3O[N+](=O)[O-])C4=NC5=CC=CC=C5S4.Cl

Isomeric SMILES

C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C4=NC5=CC=CC=C5S4.Cl

InChI

InChI=1S/C17H20N4O5S.ClH/c22-21(23)26-13-10-25-15-12(9-24-16(13)15)19-5-7-20(8-6-19)17-18-11-3-1-2-4-14(11)27-17;/h1-4,12-13,15-16H,5-10H2;1H/t12-,13-,15+,16+;/m0./s1