3-methylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 3-methylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 3-methylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 3-methyl-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 3-methylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (3-methylpyridin-1-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C6H9N2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-6-3-2-4-8(7)5-6/h4-5H,1-3H3,(H,10,11,12);2-5H,7H2,1H3/q;+1/p-1