methanesulfonate; [2-[(E)-3-oxidanylideneprop-1-enyl]phenyl] pyridin-1-ium-2-carboxylate

Systemtic Name: methanesulfonate; [2-[(E)-3-oxidanylideneprop-1-enyl]phenyl] pyridin-1-ium-2-carboxylate Openeye Name: methanesulfonate; [2-[(E)-3-oxoprop-1-enyl]phenyl] pyridin-1-ium-2-carboxylate CAS Name: methanesulfonate; 2-pyridin-1-iumcarboxylic acid [2-[(E)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: methanesulfonate; [2-[(E)-3-oxoprop-1-enyl]phenyl] pyridin-1-ium-2-carboxylate Traditional Name: pyridin-1-ium-2-carboxylic acid [2-[(E)-3-ketoprop-1-enyl]phenyl] ester mesylate Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C(=C1)C=CC=O)OC(=O)C2=CC=CC=[NH+]2

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C(=C1)/C=C/C=O)OC(=O)C2=CC=CC=[NH+]2

InChI

InChI=1S/C15H11NO3.CH4O3S/c17-11-5-7-12-6-1-2-9-14(12)19-15(18)13-8-3-4-10-16-13;1-5(2,3)4/h1-11H;1H3,(H,2,3,4)/b7-5+;