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

Systemtic Name: 2-[4-(2-pyridin-1-ium-1-ylethanoyl)phenyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]isoindole-1,3-dione Traditional Name: 2-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]isoindoline-1,3-quinone Formula: C21H15N2O3+ MolecularWeight: 343.3554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15N2O3/c24-19(14-22-12-4-1-5-13-22)15-8-10-16(11-9-15)23-20(25)17-6-2-3-7-18(17)21(23)26/h1-13H,14H2/q+1