methyl 4-(pyridin-1-ium-2-ylmethyl)benzoate

Systemtic Name: methyl 4-(pyridin-1-ium-2-ylmethyl)benzoate Openeye Name: methyl 4-(pyridin-1-ium-2-ylmethyl)benzoate CAS Name: 4-(2-pyridin-1-iumylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(pyridin-1-ium-2-ylmethyl)benzoate Traditional Name: 4-(pyridin-1-ium-2-ylmethyl)benzoic acid methyl ester Formula: C14H14NO2+ MolecularWeight: 228.26646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=CC=CC=[NH+]2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H13NO2/c1-17-14(16)12-7-5-11(6-8-12)10-13-4-2-3-9-15-13/h2-9H,10H2,1H3/p+1