(5R)-5-azaniumyl-5-(5-bromanyl-2-methoxy-phenyl)pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-(5-bromanyl-2-methoxy-phenyl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(5-bromo-2-methoxy-phenyl)pentanoate CAS Name: (5R)-5-ammonio-5-(5-bromo-2-methoxyphenyl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(5-bromo-2-methoxyphenyl)pentanoate Traditional Name: (5R)-5-ammonio-5-(5-bromo-2-methoxy-phenyl)valerate Formula: C12H16BrNO3 MolecularWeight: 302.16434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(CCCC(=O)[O-])[NH3+]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)[C@@H](CCCC(=O)[O-])[NH3+]

InChI

InChI=1S/C12H16BrNO3/c1-17-11-6-5-8(13)7-9(11)10(14)3-2-4-12(15)16/h5-7,10H,2-4,14H2,1H3,(H,15,16)/t10-/m1/s1