(4-bromophenyl)methyl-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl]-methylazanium Traditional Name: (4-bromobenzyl)-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl]-methyl-ammonium Formula: C19H18BrN4O+ MolecularWeight: 398.27642

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C19H17BrN4O/c1-23(12-14-6-8-15(20)9-7-14)13-18-22-17-5-3-2-4-16(17)19(25)24(18)11-10-21/h2-9H,11-13H2,1H3/p+1