[(3S,3aR,6S,6aS)-3-[4-[3-(benzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate

Systemtic Name: [(3S,3aR,6S,6aS)-3-[4-[3-(benzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate Openeye Name: [(3S,3aR,6S,6aS)-3-[4-[3-(benzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate CAS Name: nitric acid [(3S,3aR,6S,6aS)-3-[4-[3-(1-benzimidazolyl)propyl]-1-piperazinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester IUPAC Name: [(3S,3aR,6S,6aS)-3-[4-[3-(benzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate Traditional Name: nitric acid [(3S,3aR,6S,6aS)-3-[4-[3-(benzimidazol-1-yl)propyl]piperazino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C=NC3=CC=CC=C32)C4COC5C4OCC5O[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCN2C=NC3=CC=CC=C32)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-]

InChI

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