4-acetamido-3-methyl-benzenesulfonate; pyridin-1-ium

Systemtic Name: 4-acetamido-3-methyl-benzenesulfonate; pyridin-1-ium Openeye Name: 4-acetamido-3-methyl-benzenesulfonate; pyridin-1-ium CAS Name: 4-acetamido-3-methylbenzenesulfonate; pyridin-1-ium IUPAC Name: 4-acetamido-3-methylbenzenesulfonate; pyridin-1-ium Traditional Name: 4-acetamido-3-methyl-besylate; pyridin-1-ium Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC(=O)C.C1=CC=[NH+]C=C1

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC(=O)C.C1=CC=[NH+]C=C1

InChI

InChI=1S/C9H11NO4S.C5H5N/c1-6-5-8(15(12,13)14)3-4-9(6)10-7(2)11;1-2-4-6-5-3-1/h3-5H,1-2H3,(H,10,11)(H,12,13,14);1-5H