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

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-nitro-phenolate Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-nitro-phenolate CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-nitrophenolate IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-nitrophenolate Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-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=C(C=CC(=C3)[N+](=O)[O-])[O-])OC

Isomeric SMILES

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

InChI

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