methyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate

Systemtic Name: methyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate Openeye Name: methyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyric acid methyl ester Formula: C28H26NO2+ MolecularWeight: 408.51154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26NO2/c1-31-28(30)18-11-19-29-26(23-14-7-3-8-15-23)20-25(22-12-5-2-6-13-22)21-27(29)24-16-9-4-10-17-24/h2-10,12-17,20-21H,11,18-19H2,1H3/q+1