3-(chloromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(chloromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(chloromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(chloromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(chloromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(chloromethyl)-4aH-quinazolin-3-ium-4-one Formula: C9H8ClN2O+ MolecularWeight: 195.62562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClN2O/c10-5-12-6-11-8-4-2-1-3-7(8)9(12)13/h1-4,6-7H,5H2/q+1