4-azanyl-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]isoindoline-1,3-quinone Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=O)C4=C(C3=O)C(=CC=C4)N)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=O)C4=C(C3=O)C(=CC=C4)N)OCC

InChI

InChI=1S/C22H25N3O4/c1-3-28-18-10-14-8-9-24(12-15(14)11-19(18)29-4-2)13-25-21(26)16-6-5-7-17(23)20(16)22(25)27/h5-7,10-11H,3-4,8-9,12-13,23H2,1-2H3/p+1