2-[(1-phenethylpyridin-1-ium-4-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-phenethylpyridin-1-ium-4-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(1-phenethylpyridin-1-ium-4-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1-phenethyl-4-pyridin-1-iumyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-phenethylpyridin-1-ium-4-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1-phenethylpyridin-1-ium-4-yl)methyl]isoindoline-1,3-quinone Formula: C22H19N2O2+ MolecularWeight: 343.39846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)16-18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,10,13,16H2/q+1