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

Systemtic Name: (2R)-2-azaniumyl-2-(4-butoxy-3-methoxy-phenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(4-butoxy-3-methoxy-phenyl)acetate CAS Name: (2R)-2-ammonio-2-(4-butoxy-3-methoxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(4-butoxy-3-methoxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(4-butoxy-3-methoxy-phenyl)acetate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@H](C(=O)[O-])[NH3+])OC

InChI

InChI=1S/C13H19NO4/c1-3-4-7-18-10-6-5-9(8-11(10)17-2)12(14)13(15)16/h5-6,8,12H,3-4,7,14H2,1-2H3,(H,15,16)/t12-/m1/s1