2-[4-(2-isoquinolin-2-ium-2-ylethanoyl)phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(2-isoquinolin-2-ium-2-ylethanoyl)phenyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]isoindole-1,3-dione Traditional Name: 2-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]isoindoline-1,3-quinone Formula: C25H17N2O3+ MolecularWeight: 393.41408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H17N2O3/c28-23(16-26-14-13-17-5-1-2-6-19(17)15-26)18-9-11-20(12-10-18)27-24(29)21-7-3-4-8-22(21)25(27)30/h1-15H,16H2/q+1