benzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde

Systemtic Name: benzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde Openeye Name: benzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde CAS Name: benzenesulfonate; 1-methyl-4-pyridin-1-iumcarboxaldehyde IUPAC Name: benzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde Traditional Name: 1-methylpyridin-1-ium-4-carbaldehyde besylate Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8NO.C6H6O3S/c1-8-4-2-7(6-9)3-5-8;7-10(8,9)6-4-2-1-3-5-6/h2-6H,1H3;1-5H,(H,7,8,9)/q+1;/p-1