sodium 1-(phenylmethyl)pyridin-1-ium-3-carboxylate chloride

Systemtic Name: sodium 1-(phenylmethyl)pyridin-1-ium-3-carboxylate chloride Openeye Name: sodium 1-benzylpyridin-1-ium-3-carboxylate chloride CAS Name: sodium 1-(phenylmethyl)-3-pyridin-1-iumcarboxylate chloride IUPAC Name: sodium 1-benzylpyridin-1-ium-3-carboxylate chloride Traditional Name: sodium 1-benzylpyridin-1-ium-3-carboxylate chloride Formula: C13H11ClNNaO2 MolecularWeight: 271.67471

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-].[Na+].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-].[Na+].[Cl-]

InChI

InChI=1S/C13H11NO2.ClH.Na/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;;/h1-8,10H,9H2;1H;/q;;+1/p-1