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

Systemtic Name: (2R)-2-azaniumyl-2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(3-bromo-5-methoxy-4-pentoxy-phenyl)acetate CAS Name: (2R)-2-ammonio-2-(3-bromo-5-methoxy-4-pentoxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(3-bromo-5-methoxy-4-pentoxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(4-amoxy-3-bromo-5-methoxy-phenyl)acetate Formula: C14H20BrNO4 MolecularWeight: 346.2169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C(C(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)[C@H](C(=O)[O-])[NH3+])OC

InChI

InChI=1S/C14H20BrNO4/c1-3-4-5-6-20-13-10(15)7-9(8-11(13)19-2)12(16)14(17)18/h7-8,12H,3-6,16H2,1-2H3,(H,17,18)/t12-/m1/s1