(3S)-3-azaniumyl-3-(3-bromanyl-4-butoxy-5-methoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-bromanyl-4-butoxy-5-methoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-bromo-4-butoxy-5-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-bromo-4-butoxy-5-methoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-bromo-4-butoxy-5-methoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-bromo-4-butoxy-5-methoxy-phenyl)propionate Formula: C14H20BrNO4 MolecularWeight: 346.2169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO4/c1-3-4-5-20-14-10(15)6-9(7-12(14)19-2)11(16)8-13(17)18/h6-7,11H,3-5,8,16H2,1-2H3,(H,17,18)/t11-/m0/s1