3-methylpyridin-1-ium-1-amine; (2,4,6-trimethylphenyl)methanesulfonate

Systemtic Name: 3-methylpyridin-1-ium-1-amine; (2,4,6-trimethylphenyl)methanesulfonate Openeye Name: 3-methylpyridin-1-ium-1-amine; (2,4,6-trimethylphenyl)methanesulfonate CAS Name: 3-methyl-1-pyridin-1-iumamine; (2,4,6-trimethylphenyl)methanesulfonate IUPAC Name: 3-methylpyridin-1-ium-1-amine; (2,4,6-trimethylphenyl)methanesulfonate Traditional Name: mesitylmethanesulfonate; (3-methylpyridin-1-ium-1-yl)amine Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S.C6H9N2/c1-7-4-8(2)10(9(3)5-7)6-14(11,12)13;1-6-3-2-4-8(7)5-6/h4-5H,6H2,1-3H3,(H,11,12,13);2-5H,7H2,1H3/q;+1/p-1