phenyl 2-pyridin-1-ium-1-ylundecanoate bromide

Systemtic Name: phenyl 2-pyridin-1-ium-1-ylundecanoate bromide Openeye Name: phenyl 2-pyridin-1-ium-1-ylundecanoate bromide CAS Name: 2-(1-pyridin-1-iumyl)undecanoic acid phenyl ester bromide IUPAC Name: phenyl 2-pyridin-1-ium-1-ylundecanoate bromide Traditional Name: 2-pyridin-1-ium-1-ylundecanoic acid phenyl ester bromide Formula: C22H30BrNO2 MolecularWeight: 420.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30NO2.BrH/c1-2-3-4-5-6-7-12-17-21(23-18-13-9-14-19-23)22(24)25-20-15-10-8-11-16-20;/h8-11,13-16,18-19,21H,2-7,12,17H2,1H3;1H/q+1;/p-1