3-(4-bromophenyl)-2-pyridin-3-yl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-bromophenyl)-2-pyridin-3-yl-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(4-bromophenyl)-2-(3-pyridyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(4-bromophenyl)-2-(3-pyridinyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(4-bromophenyl)-2-pyridin-3-yl-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(4-bromophenyl)-2-(3-pyridyl)-4aH-quinazolin-3-ium-4-one Formula: C19H13BrN3O+ MolecularWeight: 379.23002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4)C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4)C=C1

InChI

InChI=1S/C19H13BrN3O/c20-14-7-9-15(10-8-14)23-18(13-4-3-11-21-12-13)22-17-6-2-1-5-16(17)19(23)24/h1-12,16H/q+1