1-(2-methoxyethyl)-2,4-dimethyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-(2-methoxyethyl)-2,4-dimethyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(2-methoxyethyl)-2,4-dimethyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(2-methoxyethyl)-2,4-dimethylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(2-methoxyethyl)-2,4-dimethylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(2-methoxyethyl)-2,4-dimethyl-pyridin-1-ium tosylate Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16NO.C7H8O3S/c1-9-4-5-11(6-7-12-3)10(2)8-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,8H,6-7H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1