(2R)-2-azaniumyl-2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(3-bromo-5-methoxy-4-propoxy-phenyl)acetate CAS Name: (2R)-2-ammonio-2-(3-bromo-5-methoxy-4-propoxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(3-bromo-5-methoxy-4-propoxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(3-bromo-5-methoxy-4-propoxy-phenyl)acetate Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(C(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)[C@H](C(=O)[O-])[NH3+])OC

InChI

InChI=1S/C12H16BrNO4/c1-3-4-18-11-8(13)5-7(6-9(11)17-2)10(14)12(15)16/h5-6,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1