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

Systemtic Name: (2R)-2-azaniumyl-2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(3-bromo-4-butoxy-5-methoxy-phenyl)acetate CAS Name: (2R)-2-ammonio-2-(3-bromo-4-butoxy-5-methoxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(3-bromo-4-butoxy-5-methoxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(3-bromo-4-butoxy-5-methoxy-phenyl)acetate Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C(C(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)[C@H](C(=O)[O-])[NH3+])OC

InChI

InChI=1S/C13H18BrNO4/c1-3-4-5-19-12-9(14)6-8(7-10(12)18-2)11(15)13(16)17/h6-7,11H,3-5,15H2,1-2H3,(H,16,17)/t11-/m1/s1