(3R)-3-azaniumyl-3-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)propanoate

Systemtic Name: (3R)-3-azaniumyl-3-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)propanoate Openeye Name: (3R)-3-azaniumyl-3-(3-bromo-5-methoxy-4-pentoxy-phenyl)propanoate CAS Name: (3R)-3-ammonio-3-(3-bromo-5-methoxy-4-pentoxyphenyl)propanoate IUPAC Name: (3R)-3-azaniumyl-3-(3-bromo-5-methoxy-4-pentoxyphenyl)propanoate Traditional Name: (3R)-3-ammonio-3-(4-amoxy-3-bromo-5-methoxy-phenyl)propionate Formula: C15H22BrNO4 MolecularWeight: 360.24348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)[C@@H](CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C15H22BrNO4/c1-3-4-5-6-21-15-11(16)7-10(8-13(15)20-2)12(17)9-14(18)19/h7-8,12H,3-6,9,17H2,1-2H3,(H,18,19)/t12-/m1/s1