1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-2-propyl-1H-quinazoline-1,3-diium-4-one bromide

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-2-propyl-1H-quinazoline-1,3-diium-4-one bromide Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-3-methyl-2-propyl-1H-quinazoline-1,3-diium-4-one bromide CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-3-methyl-2-propyl-1H-quinazoline-1,3-diium-4-one bromide IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-3-methyl-2-propyl-1H-quinazoline-1,3-diium-4-one bromide Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)-3-methyl-2-propyl-1H-quinazoline-1,3-diium-4-one bromide Formula: C18H26BrN2O2+ MolecularWeight: 382.31524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C(C)(C)C)C.[Br-]

Isomeric SMILES

CCCC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C(C)(C)C)C.[Br-]

InChI

InChI=1S/C18H25N2O2.BrH/c1-6-9-16-19(5)17(22)13-10-7-8-11-14(13)20(16)12-15(21)18(2,3)4;/h7-8,10-11H,6,9,12H2,1-5H3;1H/q+1;