[(3S,3aR,6S,6aS)-3-[4-(3-indazol-2-ylpropyl)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-(3-indazol-2-ylpropyl)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-(3-indazol-2-ylpropyl)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-[3-(2-indazolyl)propyl]-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-(3-indazol-2-ylpropyl)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-(3-indazol-2-ylpropyl)piperazino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester hydrochloride Formula: C20H28ClN5O5 MolecularWeight: 453.91982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C=C3C=CC=CC3=N2)C4COC5C4OCC5O[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCN1CCCN2C=C3C=CC=CC3=N2)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-].Cl

InChI

InChI=1S/C20H27N5O5.ClH/c26-25(27)30-18-14-29-19-17(13-28-20(18)19)23-10-8-22(9-11-23)6-3-7-24-12-15-4-1-2-5-16(15)21-24;/h1-2,4-5,12,17-20H,3,6-11,13-14H2;1H/t17-,18-,19+,20+;/m0./s1