4-methylbenzenesulfonate; 1,5,6-trimethyl-1,2,3,4-tetrahydropyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,5,6-trimethyl-1,2,3,4-tetrahydropyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,5,6-trimethyl-1,2,3,4-tetrahydropyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1,5,6-trimethyl-1,2,3,4-tetrahydropyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,5,6-trimethyl-1,2,3,4-tetrahydropyridin-1-ium Traditional Name: 1,5,6-trimethyl-1,2,3,4-tetrahydropyridin-1-ium tosylate Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+](CCC1)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C([NH+](CCC1)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H15N.C7H8O3S/c1-7-5-4-6-9(3)8(7)2;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)