[(3S,3aR,6S,6aS)-3-[4-[3-(4,5-dimethylbenzimidazol-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-(4,5-dimethylbenzimidazol-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-(4,5-dimethylbenzimidazol-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-(4,5-dimethyl-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-(4,5-dimethylbenzimidazol-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-(4,5-dimethylbenzimidazol-1-yl)propyl]piperazino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C=N2)CCCN3CCN(CC3)C4COC5C4OCC5O[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C=N2)CCCN3CCN(CC3)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-])C

InChI

InChI=1S/C22H31N5O5/c1-15-4-5-17-20(16(15)2)23-14-26(17)7-3-6-24-8-10-25(11-9-24)18-12-30-22-19(32-27(28)29)13-31-21(18)22/h4-5,14,18-19,21-22H,3,6-13H2,1-2H3/t18-,19-,21+,22+/m0/s1