4-(3,4-dimethylphenyl)-2-pyridin-2-yl-8aH-phthalazin-2-ium-1-one

Systemtic Name: 4-(3,4-dimethylphenyl)-2-pyridin-2-yl-8aH-phthalazin-2-ium-1-one Openeye Name: 4-(3,4-dimethylphenyl)-2-(2-pyridyl)-8aH-phthalazin-2-ium-1-one CAS Name: 4-(3,4-dimethylphenyl)-2-(2-pyridinyl)-8aH-phthalazin-2-ium-1-one IUPAC Name: 4-(3,4-dimethylphenyl)-2-pyridin-2-yl-8aH-phthalazin-2-ium-1-one Traditional Name: 4-(3,4-dimethylphenyl)-2-(2-pyridyl)-8aH-phthalazin-2-ium-1-one Formula: C21H18N3O+ MolecularWeight: 328.38712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C3C=CC=CC3C(=O)[N+](=N2)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C3C=CC=CC3C(=O)[N+](=N2)C4=CC=CC=N4)C

InChI

InChI=1S/C21H18N3O/c1-14-10-11-16(13-15(14)2)20-17-7-3-4-8-18(17)21(25)24(23-20)19-9-5-6-12-22-19/h3-13,18H,1-2H3/q+1