4-methylbenzenesulfonate; N-(1-methylpyridin-1-ium-3-yl)benzamide

Systemtic Name: 4-methylbenzenesulfonate; N-(1-methylpyridin-1-ium-3-yl)benzamide Openeye Name: 4-methylbenzenesulfonate; N-(1-methylpyridin-1-ium-3-yl)benzamide CAS Name: 4-methylbenzenesulfonate; N-(1-methyl-3-pyridin-1-iumyl)benzamide IUPAC Name: 4-methylbenzenesulfonate; N-(1-methylpyridin-1-ium-3-yl)benzamide Traditional Name: N-(1-methylpyridin-1-ium-3-yl)benzamide tosylate Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O.C7H8O3S/c1-15-9-5-8-12(10-15)14-13(16)11-6-3-2-4-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,1H3;2-5H,1H3,(H,8,9,10)