6,8-bis(chloranyl)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-4aH-quinazolin-3-ium-4-one Openeye Name: 6,8-dichloro-3-(4-ethoxyphenyl)-2-(3-pyridyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6,8-dichloro-3-(4-ethoxyphenyl)-2-(3-pyridinyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6,8-dichloro-3-(4-ethoxyphenyl)-2-pyridin-3-yl-4aH-quinazolin-3-ium-4-one Traditional Name: 6,8-dichloro-3-p-phenetyl-2-(3-pyridyl)-4aH-quinazolin-3-ium-4-one Formula: C21H16Cl2N3O2+ MolecularWeight: 413.27664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2=C(N=C3C(C2=O)C=C(C=C3Cl)Cl)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2=C(N=C3C(C2=O)C=C(C=C3Cl)Cl)C4=CN=CC=C4

InChI

InChI=1S/C21H16Cl2N3O2/c1-2-28-16-7-5-15(6-8-16)26-20(13-4-3-9-24-12-13)25-19-17(21(26)27)10-14(22)11-18(19)23/h3-12,17H,2H2,1H3/q+1