3-(3-bromophenyl)-1-ethyl-2-methyl-quinazolin-1-ium-4-one

Systemtic Name: 3-(3-bromophenyl)-1-ethyl-2-methyl-quinazolin-1-ium-4-one Openeye Name: 3-(3-bromophenyl)-1-ethyl-2-methyl-quinazolin-1-ium-4-one CAS Name: 3-(3-bromophenyl)-1-ethyl-2-methyl-4-quinazolin-1-iumone IUPAC Name: 3-(3-bromophenyl)-1-ethyl-2-methylquinazolin-1-ium-4-one Traditional Name: 3-(3-bromophenyl)-1-ethyl-2-methyl-quinazolin-1-ium-4-one Formula: C17H16BrN2O+ MolecularWeight: 344.22574

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C17H16BrN2O/c1-3-19-12(2)20(14-8-6-7-13(18)11-14)17(21)15-9-4-5-10-16(15)19/h4-11H,3H2,1-2H3/q+1