(4-nitrophenyl)methyl-[2-(4-oxidanylidenequinazolin-3-yl)ethyl]-dipropyl-azanium bromide

Systemtic Name: (4-nitrophenyl)methyl-[2-(4-oxidanylidenequinazolin-3-yl)ethyl]-dipropyl-azanium bromide Openeye Name: (4-nitrophenyl)methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropyl-ammonium bromide CAS Name: (4-nitrophenyl)methyl-[2-(4-oxo-3-quinazolinyl)ethyl]-dipropylammonium bromide IUPAC Name: (4-nitrophenyl)methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium bromide Traditional Name: 2-(4-ketoquinazolin-3-yl)ethyl-(4-nitrobenzyl)-dipropyl-ammonium bromide Formula: C23H29BrN4O3 MolecularWeight: 489.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N4O3.BrH/c1-3-14-27(15-4-2,17-19-9-11-20(12-10-19)26(29)30)16-13-25-18-24-22-8-6-5-7-21(22)23(25)28;/h5-12,18H,3-4,13-17H2,1-2H3;1H/q+1;/p-1