6-methoxy-2-methyl-3-[(1-oxidanidylpyridin-1-ium-3-yl)oxymethyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-methoxy-2-methyl-3-[(1-oxidanidylpyridin-1-ium-3-yl)oxymethyl]-4-phenyl-isoquinolin-1-one Openeye Name: 6-methoxy-2-methyl-3-[(1-oxidopyridin-1-ium-3-yl)oxymethyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-methoxy-2-methyl-3-[(1-oxido-3-pyridin-1-iumyl)oxymethyl]-4-phenyl-1-isoquinolinone IUPAC Name: 6-methoxy-2-methyl-3-[(1-oxidopyridin-1-ium-3-yl)oxymethyl]-4-phenylisoquinolin-1-one Traditional Name: 6-methoxy-2-methyl-3-[(1-oxidopyridin-1-ium-3-yl)oxymethyl]-4-phenyl-isocarbostyril Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C23H20N2O4/c1-24-21(15-29-18-9-6-12-25(27)14-18)22(16-7-4-3-5-8-16)20-13-17(28-2)10-11-19(20)23(24)26/h3-14H,15H2,1-2H3