4-(1,3-dimethylimidazol-1-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate

Systemtic Name: 4-(1,3-dimethylimidazol-1-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate Openeye Name: 4-(1,3-dimethylimidazol-1-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate CAS Name: 4-(1,3-dimethyl-2-imidazol-1-iumyl)benzaldehyde; 4-methylbenzenesulfonate IUPAC Name: 4-(1,3-dimethylimidazol-1-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate Traditional Name: 4-(1,3-dimethylimidazol-1-ium-2-yl)benzaldehyde tosylate Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1C2=CC=C(C=C2)C=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1C2=CC=C(C=C2)C=O)C

InChI

InChI=1S/C12H13N2O.C7H8O3S/c1-13-7-8-14(2)12(13)11-5-3-10(9-15)4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-9H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1