(2R)-2-azaniumyl-2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(3-bromo-4-hexoxy-5-methoxy-phenyl)acetate CAS Name: (2R)-2-ammonio-2-(3-bromo-4-hexoxy-5-methoxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(3-bromo-4-hexoxy-5-methoxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(3-bromo-4-hexoxy-5-methoxy-phenyl)acetate Formula: C15H22BrNO4 MolecularWeight: 360.24348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C(C(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)[C@H](C(=O)[O-])[NH3+])OC

InChI

InChI=1S/C15H22BrNO4/c1-3-4-5-6-7-21-14-11(16)8-10(9-12(14)20-2)13(17)15(18)19/h8-9,13H,3-7,17H2,1-2H3,(H,18,19)/t13-/m1/s1