benzenesulfonate; 1-methylpyridin-1-ium-3-carboxamide

Systemtic Name: benzenesulfonate; 1-methylpyridin-1-ium-3-carboxamide Openeye Name: benzenesulfonate; 1-methylpyridin-1-ium-3-carboxamide CAS Name: benzenesulfonate; 1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: benzenesulfonate; 1-methylpyridin-1-ium-3-carboxamide Traditional Name: 1-methylpyridin-1-ium-3-carboxamide besylate Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8N2O.C6H6O3S/c1-9-4-2-3-6(5-9)7(8)10;7-10(8,9)6-4-2-1-3-5-6/h2-5H,1H3,(H-,8,10);1-5H,(H,7,8,9)