4-[1,5-bis(iodanyl)cyclohexa-2,4-dien-1-yl]-2-(chloromethyl)-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 4-[1,5-bis(iodanyl)cyclohexa-2,4-dien-1-yl]-2-(chloromethyl)-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(chloromethyl)-4-(1,5-diiodocyclohexa-2,4-dien-1-yl)-3-oxido-quinazolin-3-ium CAS Name: 2-(chloromethyl)-4-(1,5-diiodo-1-cyclohexa-2,4-dienyl)-3-oxidoquinazolin-3-ium IUPAC Name: 2-(chloromethyl)-4-(1,5-diiodocyclohexa-2,4-dien-1-yl)-3-oxidoquinazolin-3-ium Traditional Name: 2-(chloromethyl)-4-(1,5-diiodocyclohexa-2,4-dien-1-yl)-3-oxido-quinazolin-3-ium Formula: C15H11ClI2N2O MolecularWeight: 524.52258

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC1(C2=[N+](C(=NC3=CC=CC=C32)CCl)[O-])I)I

Isomeric SMILES

C1C(=CC=CC1(C2=[N+](C(=NC3=CC=CC=C32)CCl)[O-])I)I

InChI

InChI=1S/C15H11ClI2N2O/c16-9-13-19-12-6-2-1-5-11(12)14(20(13)21)15(18)7-3-4-10(17)8-15/h1-7H,8-9H2