4-methylbenzenesulfonate; 4-pyridin-1-ium-4-ylmorpholine

Systemtic Name: 4-methylbenzenesulfonate; 4-pyridin-1-ium-4-ylmorpholine Openeye Name: 4-methylbenzenesulfonate; 4-pyridin-1-ium-4-ylmorpholine CAS Name: 4-methylbenzenesulfonate; 4-(4-pyridin-1-iumyl)morpholine IUPAC Name: 4-methylbenzenesulfonate; 4-pyridin-1-ium-4-ylmorpholine Traditional Name: 4-pyridin-1-ium-4-ylmorpholine tosylate Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COCCN1C2=CC=[NH+]C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COCCN1C2=CC=[NH+]C=C2

InChI

InChI=1S/C9H12N2O.C7H8O3S/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-8H2;2-5H,1H3,(H,8,9,10)