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

Systemtic Name: 3-(3-chloranylpropyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(3-chloropropyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(3-chloropropyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(3-chloropropyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(3-chloropropyl)-4aH-quinazolin-3-ium-4-one Formula: C11H12ClN2O+ MolecularWeight: 223.67878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClN2O/c12-6-3-7-14-8-13-10-5-2-1-4-9(10)11(14)15/h1-2,4-5,8-9H,3,6-7H2/q+1