4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-3-yl)pyrazine

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-3-yl)pyrazine Openeye Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-3-yl)pyrazine CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-3-pyridin-1-iumyl)pyrazine IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-3-yl)pyrazine Traditional Name: 2-(1-methylpyridin-1-ium-3-yl)pyrazine tosylate Formula: C17H17N3O3S MolecularWeight: 343.40018

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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)C2=NC=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C10H10N3.C7H8O3S/c1-13-6-2-3-9(8-13)10-7-11-4-5-12-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1