6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-oxane] chloride

Systemtic Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-oxane] chloride Openeye Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-tetrahydropyran] chloride CAS Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-oxane] chloride IUPAC Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-oxane] chloride Traditional Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-tetrahydropyran] chloride Formula: C21H25ClN2O5 MolecularWeight: 420.8866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C([NH2+]CC23CCOCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C([NH2+]CC23CCOCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC.[Cl-]

InChI

InChI=1S/C21H24N2O5.ClH/c1-26-18-11-16-17(12-19(18)27-2)21(6-8-28-9-7-21)13-22-20(16)14-4-3-5-15(10-14)23(24)25;/h3-5,10-12,20,22H,6-9,13H2,1-2H3;1H