2-[[(4,6-dimethylpyridin-1-ium-2-yl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(4,6-dimethylpyridin-1-ium-2-yl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[(4,6-dimethylpyridin-1-ium-2-yl)amino]methyl]isoindoline-1,3-dione CAS Name: 2-[[(4,6-dimethyl-2-pyridin-1-iumyl)amino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(4,6-dimethylpyridin-1-ium-2-yl)amino]methyl]isoindole-1,3-dione Traditional Name: 2-[[(4,6-dimethylpyridin-1-ium-2-yl)amino]methyl]isoindoline-1,3-quinone Formula: C16H16N3O2+ MolecularWeight: 282.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1)NCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1)NCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H15N3O2/c1-10-7-11(2)18-14(8-10)17-9-19-15(20)12-5-3-4-6-13(12)16(19)21/h3-8H,9H2,1-2H3,(H,17,18)/p+1