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2-cyclohexylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

2-cyclohexylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name:2-cyclohexylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate
Openeye Name:2-cyclohexylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate
CAS Name:1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 2-cyclohexylethyl ester
IUPAC Name:2-cyclohexylethyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate
Traditional Name:1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 2-cyclohexylethyl ester
Formula: C22H28NO2+
MolecularWeight: 338.46322
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3CCCCC3


Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3CCCCC3


InChI

InChI=1S/C22H28NO2/c1-2-23-15-13-20(19-11-7-4-8-12-19)21(17-23)22(24)25-16-14-18-9-5-3-6-10-18/h4,7-8,11-13,15,17-18H,2-3,5-6,9-10,14,16H2,1H3/q+1


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