5-methyl-2-[2-(3-methylimidazol-3-ium-1-yl)pyridin-3-yl]-3,1-benzoxazin-4-one

Systemtic Name: 5-methyl-2-[2-(3-methylimidazol-3-ium-1-yl)pyridin-3-yl]-3,1-benzoxazin-4-one Openeye Name: 5-methyl-2-[2-(3-methylimidazol-3-ium-1-yl)-3-pyridyl]-3,1-benzoxazin-4-one CAS Name: 5-methyl-2-[2-(3-methyl-1-imidazol-3-iumyl)-3-pyridinyl]-3,1-benzoxazin-4-one IUPAC Name: 5-methyl-2-[2-(3-methylimidazol-3-ium-1-yl)pyridin-3-yl]-3,1-benzoxazin-4-one Traditional Name: 5-methyl-2-[2-(3-methylimidazol-3-ium-1-yl)-3-pyridyl]-3,1-benzoxazin-4-one Formula: C18H15N4O2+ MolecularWeight: 319.3373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=CC=C3)N4C=C[N+](=C4)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=CC=C3)N4C=C[N+](=C4)C

InChI

InChI=1S/C18H15N4O2/c1-12-5-3-7-14-15(12)18(23)24-17(20-14)13-6-4-8-19-16(13)22-10-9-21(2)11-22/h3-11H,1-2H3/q+1