2-butyl-6-iodanyl-3-oxidanylidene-quinazolin-3-ium-4-one

Systemtic Name: 2-butyl-6-iodanyl-3-oxidanylidene-quinazolin-3-ium-4-one Openeye Name: 2-butyl-6-iodo-3-oxo-quinazolin-3-ium-4-one CAS Name: 2-butyl-6-iodo-3-oxo-4-quinazolin-3-iumone IUPAC Name: 2-butyl-6-iodo-3-oxoquinazolin-3-ium-4-one Traditional Name: 2-butyl-6-iodo-3-keto-quinazolin-3-ium-4-one Formula: C12H12IN2O2+ MolecularWeight: 343.14035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)I)C(=O)[N+]1=O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)I)C(=O)[N+]1=O

InChI

InChI=1S/C12H12IN2O2/c1-2-3-4-11-14-10-6-5-8(13)7-9(10)12(16)15(11)17/h5-7H,2-4H2,1H3/q+1