1-(4-methylphenyl)carbonyl-3-pyridin-3-yl-quinazolin-1-ium-4-one

Systemtic Name: 1-(4-methylphenyl)carbonyl-3-pyridin-3-yl-quinazolin-1-ium-4-one Openeye Name: 1-(4-methylbenzoyl)-3-(3-pyridyl)quinazolin-1-ium-4-one CAS Name: 1-[(4-methylphenyl)-oxomethyl]-3-(3-pyridinyl)-4-quinazolin-1-iumone IUPAC Name: 1-(4-methylbenzoyl)-3-pyridin-3-ylquinazolin-1-ium-4-one Traditional Name: 1-p-toluoyl-3-(3-pyridyl)quinazolin-1-ium-4-one Formula: C21H16N3O2+ MolecularWeight: 342.37064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[N+]2=CN(C(=O)C3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[N+]2=CN(C(=O)C3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C21H16N3O2/c1-15-8-10-16(11-9-15)20(25)24-14-23(17-5-4-12-22-13-17)21(26)18-6-2-3-7-19(18)24/h2-14H,1H3/q+1