3-(2-chloranylpyridin-3-yl)-2-(chloromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(2-chloranylpyridin-3-yl)-2-(chloromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 2-(chloromethyl)-3-(2-chloro-3-pyridyl)-4aH-quinazolin-3-ium-4-one CAS Name: 2-(chloromethyl)-3-(2-chloro-3-pyridinyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-(chloromethyl)-3-(2-chloropyridin-3-yl)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-(chloromethyl)-3-(2-chloro-3-pyridyl)-4aH-quinazolin-3-ium-4-one Formula: C14H10Cl2N3O+ MolecularWeight: 307.1547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=O)C3=C(N=CC=C3)Cl)CCl)C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=O)C3=C(N=CC=C3)Cl)CCl)C=C1

InChI

InChI=1S/C14H10Cl2N3O/c15-8-12-18-10-5-2-1-4-9(10)14(20)19(12)11-6-3-7-17-13(11)16/h1-7,9H,8H2/q+1