4-acetamidobenzenesulfonate; 1-methylpyridin-1-ium

Systemtic Name: 4-acetamidobenzenesulfonate; 1-methylpyridin-1-ium Openeye Name: 4-acetamidobenzenesulfonate; 1-methylpyridin-1-ium CAS Name: 4-acetamidobenzenesulfonate; 1-methylpyridin-1-ium IUPAC Name: 4-acetamidobenzenesulfonate; 1-methylpyridin-1-ium Traditional Name: 4-acetamidobesylate; 1-methylpyridin-1-ium Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1

InChI

InChI=1S/C8H9NO4S.C6H8N/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13;1-7-5-3-2-4-6-7/h2-5H,1H3,(H,9,10)(H,11,12,13);2-6H,1H3/q;+1/p-1