[(4-methoxyphenyl)amino]-pyridin-1-ium-3-yl-methanesulfonate

Systemtic Name: [(4-methoxyphenyl)amino]-pyridin-1-ium-3-yl-methanesulfonate Openeye Name: (4-methoxyanilino)-pyridin-1-ium-3-yl-methanesulfonate CAS Name: (4-methoxyanilino)-(3-pyridin-1-iumyl)methanesulfonate IUPAC Name: (4-methoxyanilino)-pyridin-1-ium-3-ylmethanesulfonate Traditional Name: p-anisidino(pyridin-1-ium-3-yl)methanesulfonate Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(C2=C[NH+]=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(C2=C[NH+]=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c1-19-12-6-4-11(5-7-12)15-13(20(16,17)18)10-3-2-8-14-9-10/h2-9,13,15H,1H3,(H,16,17,18)