[(3S,3aR,6S,6aS)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]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-[2-(1H-benzimidazol-2-yl)ethyl]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-[2-(1H-benzimidazol-2-yl)ethyl]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-[2-(1H-benzimidazol-2-yl)ethyl]-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-[2-(1H-benzimidazol-2-yl)ethyl]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-[2-(1H-benzimidazol-2-yl)ethyl]piperazino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester hydrochloride Formula: C19H26ClN5O5 MolecularWeight: 439.89324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=NC3=CC=CC=C3N2)C4COC5C4OCC5O[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCN1CCC2=NC3=CC=CC=C3N2)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-].Cl

InChI

InChI=1S/C19H25N5O5.ClH/c25-24(26)29-16-12-28-18-15(11-27-19(16)18)23-9-7-22(8-10-23)6-5-17-20-13-3-1-2-4-14(13)21-17;/h1-4,15-16,18-19H,5-12H2,(H,20,21);1H/t15-,16-,18+,19+;/m0./s1