2-(3-methylpyridin-1-ium-1-yl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)-4H-isoquinoline-1,3-quinone Formula: C15H13N2O2+ MolecularWeight: 253.27592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)N2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C[N+](=CC=C1)N2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C15H13N2O2/c1-11-5-4-8-16(10-11)17-14(18)9-12-6-2-3-7-13(12)15(17)19/h2-8,10H,9H2,1H3/q+1