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

Systemtic Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinolin-2-ium-4,1'-cyclopentane] Openeye Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinolin-2-ium-4,1'-cyclopentane] CAS Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinolin-2-ium-4,1'-cyclopentane] IUPAC Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinolin-2-ium-4,1'-cyclopentane] Traditional Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinolin-2-ium-4,1'-cyclopentane] Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[NH+]CC23CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[NH+]CC23CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O4/c1-26-18-11-16-17(12-19(18)27-2)21(8-3-4-9-21)13-22-20(16)14-6-5-7-15(10-14)23(24)25/h5-7,10-12H,3-4,8-9,13H2,1-2H3/p+1