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

Systemtic Name: 4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]benzaldehyde; 4-methylbenzenesulfonate Openeye Name: 4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]benzaldehyde; 4-methylbenzenesulfonate CAS Name: 4-[(1,3-dimethyl-2-imidazol-1-iumyl)methoxy]benzaldehyde; 4-methylbenzenesulfonate IUPAC Name: 4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]benzaldehyde; 4-methylbenzenesulfonate Traditional Name: 4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]benzaldehyde tosylate Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1COC2=CC=C(C=C2)C=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1COC2=CC=C(C=C2)C=O)C

InChI

InChI=1S/C13H15N2O2.C7H8O3S/c1-14-7-8-15(2)13(14)10-17-12-5-3-11(9-16)4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-9H,10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1