1-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-3-propyl-1H-quinazoline-1,3-diium-4-one bromide

Systemtic Name: 1-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-3-propyl-1H-quinazoline-1,3-diium-4-one bromide Openeye Name: 1-[2-(4-tert-butylphenyl)-2-oxo-ethyl]-3-propyl-1H-quinazoline-1,3-diium-4-one bromide CAS Name: 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-propyl-1H-quinazoline-1,3-diium-4-one bromide IUPAC Name: 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-propyl-1H-quinazoline-1,3-diium-4-one bromide Traditional Name: 1-[2-(4-tert-butylphenyl)-2-keto-ethyl]-3-propyl-1H-quinazoline-1,3-diium-4-one bromide Formula: C23H28BrN2O2+ MolecularWeight: 444.38462

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C[NH+](C2=CC=CC=C2C1=O)CC(=O)C3=CC=C(C=C3)C(C)(C)C.[Br-]

Isomeric SMILES

CCC[N+]1=C[NH+](C2=CC=CC=C2C1=O)CC(=O)C3=CC=C(C=C3)C(C)(C)C.[Br-]

InChI

InChI=1S/C23H27N2O2.BrH/c1-5-14-24-16-25(20-9-7-6-8-19(20)22(24)27)15-21(26)17-10-12-18(13-11-17)23(2,3)4;/h6-13,16H,5,14-15H2,1-4H3;1H/q+1;