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

Systemtic Name: (3S)-3-azaniumyl-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-bromo-4-ethoxy-5-methoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-bromo-4-ethoxy-5-methoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)propionate Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)[C@H](CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C12H16BrNO4/c1-3-18-12-8(13)4-7(5-10(12)17-2)9(14)6-11(15)16/h4-5,9H,3,6,14H2,1-2H3,(H,15,16)/t9-/m0/s1