2-methyl-6-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 2-methyl-6-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-methyl-6-[(1-oxidopyridin-1-ium-2-yl)methoxy]-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-methyl-6-[(1-oxido-2-pyridin-1-iumyl)methoxy]-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-methyl-6-[(1-oxidopyridin-1-ium-2-yl)methoxy]-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 1-keto-2-methyl-6-[(1-oxidopyridin-1-ium-2-yl)methoxy]-4-phenyl-isoquinoline-3-carbonitrile Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=[N+]3[O-])C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=[N+]3[O-])C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H17N3O3/c1-25-21(14-24)22(16-7-3-2-4-8-16)20-13-18(10-11-19(20)23(25)27)29-15-17-9-5-6-12-26(17)28/h2-13H,15H2,1H3