4-[(E)-2-(1-methoxypyridin-1-ium-4-yl)ethenyl]benzaldehyde; 4-methylbenzenesulfonate

Systemtic Name: 4-[(E)-2-(1-methoxypyridin-1-ium-4-yl)ethenyl]benzaldehyde; 4-methylbenzenesulfonate Openeye Name: 4-[(E)-2-(1-methoxypyridin-1-ium-4-yl)vinyl]benzaldehyde; 4-methylbenzenesulfonate CAS Name: 4-[(E)-2-(1-methoxy-4-pyridin-1-iumyl)ethenyl]benzaldehyde; 4-methylbenzenesulfonate IUPAC Name: 4-[(E)-2-(1-methoxypyridin-1-ium-4-yl)ethenyl]benzaldehyde; 4-methylbenzenesulfonate Traditional Name: 4-[(E)-2-(1-methoxypyridin-1-ium-4-yl)vinyl]benzaldehyde tosylate Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CO[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CO[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C=O

InChI

InChI=1S/C15H14NO2.C7H8O3S/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b3-2+;