4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-nitro-phenolate

Systemtic Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-nitro-phenolate Openeye Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-nitro-phenolate CAS Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-nitrophenolate IUPAC Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-nitrophenolate Traditional Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-nitro-phenolate Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O5/c1-24-17-8-13-5-6-19(11-14(13)9-18(17)25-2)10-12-3-4-16(21)15(7-12)20(22)23/h3-4,7-9,21H,5-6,10-11H2,1-2H3