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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-ammonium Formula: C19H21BrN3O2+ MolecularWeight: 403.29294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H20BrN3O2/c1-12(18-21-16-7-5-4-6-15(16)19(24)22-18)23(2)11-13-10-14(20)8-9-17(13)25-3/h4-10,12H,11H2,1-3H3,(H,21,22,24)/p+1/t12-/m1/s1