4-methylbenzenesulfonate; 2-methyl-1-propan-2-yloxy-pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1-propan-2-yloxy-pyridin-1-ium Openeye Name: 1-isopropoxy-2-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-methyl-1-propan-2-yloxypyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1-propan-2-yloxypyridin-1-ium Traditional Name: 1-isopropoxy-2-methyl-pyridin-1-ium tosylate Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14NO.C7H8O3S/c1-8(2)11-10-7-5-4-6-9(10)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1