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

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

Systemtic Name:ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate
Openeye Name:ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate
CAS Name:4-(2,4,6-triphenyl-1-pyridin-1-iumyl)butanoic acid ethyl ester
IUPAC Name:ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate
Traditional Name:4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyric acid ethyl ester
Formula: C29H28NO2+
MolecularWeight: 422.53812
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H28NO2/c1-2-32-29(31)19-12-20-30-27(24-15-8-4-9-16-24)21-26(23-13-6-3-7-14-23)22-28(30)25-17-10-5-11-18-25/h3-11,13-18,21-22H,2,12,19-20H2,1H3/q+1


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