4-(2-pyridin-1-ium-1-ylethyl)benzoate

Systemtic Name: 4-(2-pyridin-1-ium-1-ylethyl)benzoate Openeye Name: 4-(2-pyridin-1-ium-1-ylethyl)benzoate CAS Name: 4-[2-(1-pyridin-1-iumyl)ethyl]benzoate IUPAC Name: 4-(2-pyridin-1-ium-1-ylethyl)benzoate Traditional Name: 4-(2-pyridin-1-ium-1-ylethyl)benzoate Formula: C14H13NO2 MolecularWeight: 227.25852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H13NO2/c16-14(17)13-6-4-12(5-7-13)8-11-15-9-2-1-3-10-15/h1-7,9-10H,8,11H2