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heptyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

heptyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name:heptyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate
Openeye Name:heptyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate
CAS Name:1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid heptyl ester
IUPAC Name:heptyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate
Traditional Name:1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid heptyl ester
Formula: C21H28NO2+
MolecularWeight: 326.45252
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C=C[N+](=C1)CC)C2=CC=CC=C2


Isomeric SMILES

CCCCCCCOC(=O)C1=C(C=C[N+](=C1)CC)C2=CC=CC=C2


InChI

InChI=1S/C21H28NO2/c1-3-5-6-7-11-16-24-21(23)20-17-22(4-2)15-14-19(20)18-12-9-8-10-13-18/h8-10,12-15,17H,3-7,11,16H2,1-2H3/q+1


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