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

Systemtic Name: (3S)-3-azaniumyl-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-bromo-5-methoxy-4-propoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-bromo-5-methoxy-4-propoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-bromo-5-methoxy-4-propoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-bromo-5-methoxy-4-propoxy-phenyl)propionate Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO4/c1-3-4-19-13-9(14)5-8(6-11(13)18-2)10(15)7-12(16)17/h5-6,10H,3-4,7,15H2,1-2H3,(H,16,17)/t10-/m0/s1