(4-methoxyphenyl) 2-pyridin-1-ium-1-yldodecanoate bromide

Systemtic Name: (4-methoxyphenyl) 2-pyridin-1-ium-1-yldodecanoate bromide Openeye Name: (4-methoxyphenyl) 2-pyridin-1-ium-1-yldodecanoate bromide CAS Name: 2-(1-pyridin-1-iumyl)dodecanoic acid (4-methoxyphenyl) ester bromide IUPAC Name: (4-methoxyphenyl) 2-pyridin-1-ium-1-yldodecanoate bromide Traditional Name: 2-pyridin-1-ium-1-yllauric acid (4-methoxyphenyl) ester bromide Formula: C24H34BrNO3 MolecularWeight: 464.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OC1=CC=C(C=C1)OC)[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCC(C(=O)OC1=CC=C(C=C1)OC)[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C24H34NO3.BrH/c1-3-4-5-6-7-8-9-11-14-23(25-19-12-10-13-20-25)24(26)28-22-17-15-21(27-2)16-18-22;/h10,12-13,15-20,23H,3-9,11,14H2,1-2H3;1H/q+1;/p-1