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

Systemtic Name: 1-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-nitro-2-pyridone Formula: C23H24N3O5+ MolecularWeight: 422.45376

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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-])C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CN3C=C(C=CC3=O)[N+](=O)[O-])C4=CC=CC=C4)OC

InChI

InChI=1S/C23H23N3O5/c1-30-20-12-17-10-11-24(15-25-14-18(26(28)29)8-9-22(25)27)23(16-6-4-3-5-7-16)19(17)13-21(20)31-2/h3-9,12-14,23H,10-11,15H2,1-2H3/p+1/t23-/m1/s1