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

Systemtic Name: ethyl 1-hexyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 1-hexyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate CAS Name: 1-hexyl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-hexyl-4,6-diphenylpyridin-1-ium-2-carboxylate Traditional Name: 1-hexyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C26H30NO2+ MolecularWeight: 388.5219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30NO2/c1-3-5-6-13-18-27-24(22-16-11-8-12-17-22)19-23(21-14-9-7-10-15-21)20-25(27)26(28)29-4-2/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3/q+1