3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC)OCC

InChI

InChI=1S/C24H28N4O4/c1-4-31-20-12-16-10-11-27(14-17(16)13-21(20)32-5-2)15-28-24(30)19-9-7-6-8-18(19)22(26-28)23(29)25-3/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3,(H,25,29)/p+1