[4-(dimethylamino)pyridin-1-ium-1-yl] benzenesulfonate

Systemtic Name: [4-(dimethylamino)pyridin-1-ium-1-yl] benzenesulfonate Openeye Name: [4-(dimethylamino)pyridin-1-ium-1-yl] benzenesulfonate CAS Name: benzenesulfonic acid [4-(dimethylamino)-1-pyridin-1-iumyl] ester IUPAC Name: [4-(dimethylamino)pyridin-1-ium-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(dimethylamino)pyridin-1-ium-1-yl] ester Formula: C13H15N2O3S+ MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N2O3S/c1-14(2)12-8-10-15(11-9-12)18-19(16,17)13-6-4-3-5-7-13/h3-11H,1-2H3/q+1