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ethyl 1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate

ethyl 1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate

Systemtic Name:ethyl 1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate
Openeye Name:ethyl 1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate
CAS Name:1-octyl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl 1-octyl-4,6-diphenylpyridin-1-ium-2-carboxylate
Traditional Name:1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester
Formula: C28H34NO2+
MolecularWeight: 416.57506
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3


Isomeric SMILES

CCCCCCCC[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3


InChI

InChI=1S/C28H34NO2/c1-3-5-6-7-8-15-20-29-26(24-18-13-10-14-19-24)21-25(23-16-11-9-12-17-23)22-27(29)28(30)31-4-2/h9-14,16-19,21-22H,3-8,15,20H2,1-2H3/q+1


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