(5-bromanyl-2-methoxy-phenyl)methyl-[(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(7-carbomethoxy-4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C20H21BrN3O4+ MolecularWeight: 447.30244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20BrN3O4/c1-24(10-13-8-14(21)5-7-17(13)27-2)11-18-22-16-9-12(20(26)28-3)4-6-15(16)19(25)23-18/h4-9H,10-11H2,1-3H3,(H,22,23,25)/p+1