4-[(pyridin-1-ium-4-ylamino)methyl]benzoate

Systemtic Name: 4-[(pyridin-1-ium-4-ylamino)methyl]benzoate Openeye Name: 4-[(pyridin-1-ium-4-ylamino)methyl]benzoate CAS Name: 4-[(4-pyridin-1-iumylamino)methyl]benzoate IUPAC Name: 4-[(pyridin-1-ium-4-ylamino)methyl]benzoate Traditional Name: 4-[(pyridin-1-ium-4-ylamino)methyl]benzoate Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=[NH+]C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=[NH+]C=C2)C(=O)[O-]

InChI

InChI=1S/C13H12N2O2/c16-13(17)11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1-8H,9H2,(H,14,15)(H,16,17)