4-methylbenzenesulfonate; 3-pyridin-1-ium-1-ylpropan-1-ol

Systemtic Name: 4-methylbenzenesulfonate; 3-pyridin-1-ium-1-ylpropan-1-ol Openeye Name: 4-methylbenzenesulfonate; 3-pyridin-1-ium-1-ylpropan-1-ol CAS Name: 4-methylbenzenesulfonate; 3-(1-pyridin-1-iumyl)-1-propanol IUPAC Name: 4-methylbenzenesulfonate; 3-pyridin-1-ium-1-ylpropan-1-ol Traditional Name: 3-pyridin-1-ium-1-ylpropan-1-ol tosylate Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12NO.C7H8O3S/c10-8-4-7-9-5-2-1-3-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,10H,4,7-8H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1