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1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-carboxylic acid

1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-carboxylic acid

Systemtic Name:1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-carboxylic acid
Openeye Name:1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-carboxylic acid
CAS Name:1-[2-(3-methylphenoxy)ethyl]-4-pyridin-1-iumcarboxylic acid
IUPAC Name:1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-carboxylic acid
Traditional Name:1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-carboxylic acid
Formula: C15H16NO3+
MolecularWeight: 258.29244
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C15H15NO3/c1-12-3-2-4-14(11-12)19-10-9-16-7-5-13(6-8-16)15(17)18/h2-8,11H,9-10H2,1H3/p+1


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