4-[[3-(1H-imidazol-3-ium-3-yl)propylamino]methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione

Systemtic Name: 4-[[3-(1H-imidazol-3-ium-3-yl)propylamino]methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Openeye Name: 4-[[3-(1H-imidazol-3-ium-3-yl)propylamino]methylene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione CAS Name: 4-[[3-(1H-imidazol-3-ium-3-yl)propylamino]methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione IUPAC Name: 4-[[3-(1H-imidazol-3-ium-3-yl)propylamino]methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Traditional Name: 4-[[3-(1H-imidazol-3-ium-3-yl)propylamino]methylene]-2-p-anisyl-isoquinoline-1,3-quinone Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CNCCC[N+]4=CNC=C4)C2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CNCCC[N+]4=CNC=C4)C2=O

InChI

InChI=1S/C24H24N4O3/c1-31-19-9-7-18(8-10-19)16-28-23(29)21-6-3-2-5-20(21)22(24(28)30)15-25-11-4-13-27-14-12-26-17-27/h2-3,5-10,12,14-15,17H,4,11,13,16H2,1H3,(H,25,29,30)/p+1