1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-pyridin-2-one CAS Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitropyridin-2-one Traditional Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-2-pyridone Formula: C17H20N3O5+ MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C=C(C=CC3=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C=C(C=CC3=O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H19N3O5/c1-24-15-7-12-5-6-18(9-13(12)8-16(15)25-2)11-19-10-14(20(22)23)3-4-17(19)21/h3-4,7-8,10H,5-6,9,11H2,1-2H3/p+1