4-methylbenzenesulfonate; 3-pyridin-3-ylpropylazanium

Systemtic Name: 4-methylbenzenesulfonate; 3-pyridin-3-ylpropylazanium Openeye Name: 4-methylbenzenesulfonate; 3-(3-pyridyl)propylammonium CAS Name: 4-methylbenzenesulfonate; 3-(3-pyridinyl)propylammonium IUPAC Name: 4-methylbenzenesulfonate; 3-pyridin-3-ylpropylazanium Traditional Name: 3-(3-pyridyl)propylammonium tosylate Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CN=C1)CCC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CN=C1)CCC[NH3+]

InChI

InChI=1S/C8H12N2.C7H8O3S/c9-5-1-3-8-4-2-6-10-7-8;1-6-2-4-7(5-3-6)11(8,9)10/h2,4,6-7H,1,3,5,9H2;2-5H,1H3,(H,8,9,10)