7-methyl-1-(3-methylphenyl)-4-oxidanylidene-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate

Systemtic Name: 7-methyl-1-(3-methylphenyl)-4-oxidanylidene-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 3-benzyl-7-methyl-1-(m-tolyl)-4-oxo-pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 7-methyl-1-(3-methylphenyl)-4-oxo-3-(phenylmethyl)-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 3-benzyl-7-methyl-1-(3-methylphenyl)-4-oxopyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 3-benzyl-4-keto-7-methyl-1-(m-tolyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=[N+](C(=O)C(=C2[O-])CC4=CC=CC=C4)N=C(C=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=[N+](C(=O)C(=C2[O-])CC4=CC=CC=C4)N=C(C=C3)C

InChI

InChI=1S/C22H19N3O2/c1-15-7-6-10-18(13-15)24-20-12-11-16(2)23-25(20)22(27)19(21(24)26)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3