2-(4-oxidanylidenequinazolin-3-yl)ethyl-(phenylmethyl)-dipropyl-azanium bromide

Systemtic Name: 2-(4-oxidanylidenequinazolin-3-yl)ethyl-(phenylmethyl)-dipropyl-azanium bromide Openeye Name: benzyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropyl-ammonium bromide CAS Name: 2-(4-oxo-3-quinazolinyl)ethyl-(phenylmethyl)-dipropylammonium bromide IUPAC Name: benzyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium bromide Traditional Name: benzyl-[2-(4-ketoquinazolin-3-yl)ethyl]-dipropyl-ammonium bromide Formula: C23H30BrN3O MolecularWeight: 444.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCN1C=NC2=CC=CC=C2C1=O)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCC[N+](CCC)(CCN1C=NC2=CC=CC=C2C1=O)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H30N3O.BrH/c1-3-15-26(16-4-2,18-20-10-6-5-7-11-20)17-14-25-19-24-22-13-9-8-12-21(22)23(25)27;/h5-13,19H,3-4,14-18H2,1-2H3;1H/q+1;/p-1