3-[(1S,5R)-2-[2-(4-nitrophenyl)ethyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenol hydrochloride

Systemtic Name: 3-[(1S,5R)-2-[2-(4-nitrophenyl)ethyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenol hydrochloride Openeye Name: 3-[(1S,5R)-2-[2-(4-nitrophenyl)ethyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenol hydrochloride CAS Name: 3-[(1S,5R)-2-[2-(4-nitrophenyl)ethyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenol hydrochloride IUPAC Name: 3-[(1S,5R)-2-[2-(4-nitrophenyl)ethyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenol hydrochloride Traditional Name: 3-[(1S,5R)-2-[2-(4-nitrophenyl)ethyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenol hydrochloride Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(C1)(CCN2CCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)O.Cl

Isomeric SMILES

C1C[C@H]2C[C@@](C1)(CCN2CCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)O.Cl

InChI

InChI=1S/C22H26N2O3.ClH/c25-21-5-1-3-18(15-21)22-11-2-4-20(16-22)23(14-12-22)13-10-17-6-8-19(9-7-17)24(26)27;/h1,3,5-9,15,20,25H,2,4,10-14,16H2;1H/t20-,22+;/m0./s1