(4-bromanyl-2,5-dimethoxy-phenyl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (4-bromo-2,5-dimethoxyphenyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-bromo-2,5-dimethoxy-benzyl)-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C19H21BrN3O3+ MolecularWeight: 419.29234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1OC)Br)OC)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1OC)Br)OC)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H20BrN3O3/c1-23(10-12-8-17(26-3)14(20)9-16(12)25-2)11-18-21-15-7-5-4-6-13(15)19(24)22-18/h4-9H,10-11H2,1-3H3,(H,21,22,24)/p+1