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

Systemtic Name: (5R)-5-azaniumyl-5-(2-bromanyl-4,5-dimethoxy-phenyl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(2-bromo-4,5-dimethoxy-phenyl)pentanoate CAS Name: (5R)-5-ammonio-5-(2-bromo-4,5-dimethoxyphenyl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(2-bromo-4,5-dimethoxyphenyl)pentanoate Traditional Name: (5R)-5-ammonio-5-(2-bromo-4,5-dimethoxy-phenyl)valerate Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO4/c1-18-11-6-8(9(14)7-12(11)19-2)10(15)4-3-5-13(16)17/h6-7,10H,3-5,15H2,1-2H3,(H,16,17)/t10-/m1/s1