2-[4-(2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindoline-1,3-quinone Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC2=CC=CC=C21)(CC#CCN3C(=O)C4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

C1C[N+](CC2=CC=CC=C21)(CC#CCN3C(=O)C4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C21H18N2O3/c24-20-18-9-3-4-10-19(18)21(25)22(20)12-5-6-13-23(26)14-11-16-7-1-2-8-17(16)15-23/h1-4,7-10H,11-15H2