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

Systemtic Name: dimethyl-[(4-nitrophenyl)methyl]-[2-(4-oxidanylidenequinazolin-3-yl)ethyl]azanium bromide Openeye Name: dimethyl-[(4-nitrophenyl)methyl]-[2-(4-oxoquinazolin-3-yl)ethyl]ammonium bromide CAS Name: dimethyl-[(4-nitrophenyl)methyl]-[2-(4-oxo-3-quinazolinyl)ethyl]ammonium bromide IUPAC Name: dimethyl-[(4-nitrophenyl)methyl]-[2-(4-oxoquinazolin-3-yl)ethyl]azanium bromide Traditional Name: 2-(4-ketoquinazolin-3-yl)ethyl-dimethyl-(4-nitrobenzyl)ammonium bromide Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N4O3.BrH/c1-23(2,13-15-7-9-16(10-8-15)22(25)26)12-11-21-14-20-18-6-4-3-5-17(18)19(21)24;/h3-10,14H,11-13H2,1-2H3;1H/q+1;/p-1