4-[[7-methoxy-2-methyl-1,3-bis(oxidanylidene)-4H-isoquinolin-2-ium-2-yl]methyl]cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: 4-[[7-methoxy-2-methyl-1,3-bis(oxidanylidene)-4H-isoquinolin-2-ium-2-yl]methyl]cyclohexa-2,4-diene-1-carboxamide Openeye Name: 4-[(7-methoxy-2-methyl-1,3-dioxo-4H-isoquinolin-2-ium-2-yl)methyl]cyclohexa-2,4-diene-1-carboxamide CAS Name: 4-[(7-methoxy-2-methyl-1,3-dioxo-4H-isoquinolin-2-ium-2-yl)methyl]-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: 4-[(7-methoxy-2-methyl-1,3-dioxo-4H-isoquinolin-2-ium-2-yl)methyl]cyclohexa-2,4-diene-1-carboxamide Traditional Name: 4-[(1,3-diketo-7-methoxy-2-methyl-4H-isoquinolin-2-ium-2-yl)methyl]cyclohexa-2,4-diene-1-carboxamide Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)CC2=C(C1=O)C=C(C=C2)OC)CC3=CCC(C=C3)C(=O)N

Isomeric SMILES

C[N+]1(C(=O)CC2=C(C1=O)C=C(C=C2)OC)CC3=CCC(C=C3)C(=O)N

InChI

InChI=1S/C19H20N2O4/c1-21(11-12-3-5-13(6-4-12)18(20)23)17(22)9-14-7-8-15(25-2)10-16(14)19(21)24/h3-5,7-8,10,13H,6,9,11H2,1-2H3,(H-,20,23)/p+1