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5-phenylpentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

5-phenylpentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name:5-phenylpentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate
Openeye Name:5-phenylpentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate
CAS Name:1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 5-phenylpentyl ester
IUPAC Name:5-phenylpentyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate
Traditional Name:1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 5-phenylpentyl ester
Formula: C25H28NO2+
MolecularWeight: 374.49532
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCCCCC3=CC=CC=C3


Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCCCCC3=CC=CC=C3


InChI

InChI=1S/C25H28NO2/c1-2-26-18-17-23(22-15-9-4-10-16-22)24(20-26)25(27)28-19-11-5-8-14-21-12-6-3-7-13-21/h3-4,6-7,9-10,12-13,15-18,20H,2,5,8,11,14,19H2,1H3/q+1


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