4-methylbenzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde

Systemtic Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde Openeye Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-pyridin-1-iumcarboxaldehyde IUPAC Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde Traditional Name: 1-methylpyridin-1-ium-4-carbaldehyde tosylate Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C=O

InChI

InChI=1S/C7H8NO.C7H8O3S/c1-8-4-2-7(6-9)3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1