(4R)-4-azaniumyl-4-(2-bromanyl-4,5-dimethoxy-phenyl)butanoate

Systemtic Name: (4R)-4-azaniumyl-4-(2-bromanyl-4,5-dimethoxy-phenyl)butanoate Openeye Name: (4R)-4-azaniumyl-4-(2-bromo-4,5-dimethoxy-phenyl)butanoate CAS Name: (4R)-4-ammonio-4-(2-bromo-4,5-dimethoxyphenyl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(2-bromo-4,5-dimethoxyphenyl)butanoate Traditional Name: (4R)-4-ammonio-4-(2-bromo-4,5-dimethoxy-phenyl)butyrate Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CCC(=O)[O-])[NH3+])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)[C@@H](CCC(=O)[O-])[NH3+])Br)OC

InChI

InChI=1S/C12H16BrNO4/c1-17-10-5-7(8(13)6-11(10)18-2)9(14)3-4-12(15)16/h5-6,9H,3-4,14H2,1-2H3,(H,15,16)/t9-/m1/s1