4-[(pyridin-4-ylmethylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(pyridin-4-ylmethylazaniumyl)methyl]benzoate Openeye Name: 4-[(4-pyridylmethylammonio)methyl]benzoate CAS Name: 4-[(pyridin-4-ylmethylammonio)methyl]benzoate IUPAC Name: 4-[(pyridin-4-ylmethylazaniumyl)methyl]benzoate Traditional Name: 4-[(4-pyridylmethylammonio)methyl]benzoate Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC2=CC=NC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CC2=CC=NC=C2)C(=O)[O-]

InChI

InChI=1S/C14H14N2O2/c17-14(18)13-3-1-11(2-4-13)9-16-10-12-5-7-15-8-6-12/h1-8,16H,9-10H2,(H,17,18)