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

Systemtic Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-oxane] Openeye Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-tetrahydropyran] CAS Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-oxane] IUPAC Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-oxane] Traditional Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,4'-tetrahydropyran] Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/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/p+1