2-butyl-3-methyl-1-phenacyl-1H-quinazoline-1,3-diium-4-one bromide

Systemtic Name: 2-butyl-3-methyl-1-phenacyl-1H-quinazoline-1,3-diium-4-one bromide Openeye Name: 2-butyl-3-methyl-1-phenacyl-1H-quinazoline-1,3-diium-4-one bromide CAS Name: 2-butyl-3-methyl-1-phenacyl-1H-quinazoline-1,3-diium-4-one bromide IUPAC Name: 2-butyl-3-methyl-1-phenacyl-1H-quinazoline-1,3-diium-4-one bromide Traditional Name: 2-butyl-3-methyl-1-phenacyl-1H-quinazoline-1,3-diium-4-one bromide Formula: C21H24BrN2O2+ MolecularWeight: 416.33146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCCCC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C21H23N2O2.BrH/c1-3-4-14-20-22(2)21(25)17-12-8-9-13-18(17)23(20)15-19(24)16-10-6-5-7-11-16;/h5-13H,3-4,14-15H2,1-2H3;1H/q+1;