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

Systemtic Name: 4-[1,5-bis(bromanyl)cyclohexa-2,4-dien-1-yl]-2-(chloromethyl)-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(chloromethyl)-4-(1,5-dibromocyclohexa-2,4-dien-1-yl)-3-oxido-quinazolin-3-ium CAS Name: 2-(chloromethyl)-4-(1,5-dibromo-1-cyclohexa-2,4-dienyl)-3-oxidoquinazolin-3-ium IUPAC Name: 2-(chloromethyl)-4-(1,5-dibromocyclohexa-2,4-dien-1-yl)-3-oxidoquinazolin-3-ium Traditional Name: 2-(chloromethyl)-4-(1,5-dibromocyclohexa-2,4-dien-1-yl)-3-oxido-quinazolin-3-ium Formula: C15H11Br2ClN2O MolecularWeight: 430.52164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11Br2ClN2O/c16-10-4-3-7-15(17,8-10)14-11-5-1-2-6-12(11)19-13(9-18)20(14)21/h1-7H,8-9H2