(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)methanol; 4-methylbenzenesulfonate

Systemtic Name: (1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)methanol; 4-methylbenzenesulfonate Openeye Name: (1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)methanol; 4-methylbenzenesulfonate CAS Name: (1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)methanol; 4-methylbenzenesulfonate IUPAC Name: (1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)methanol; 4-methylbenzenesulfonate Traditional Name: (1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)methanol tosylate Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16NO.C7H8O3S/c1-9(2)5-3-4-8(6-9)7-10;1-6-2-4-7(5-3-6)11(8,9)10/h4,10H,3,5-7H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1