1-(2-methoxyethyl)pyridin-1-ium-3-carbonitrile; 4-methylbenzenesulfonate

Systemtic Name: 1-(2-methoxyethyl)pyridin-1-ium-3-carbonitrile; 4-methylbenzenesulfonate Openeye Name: 1-(2-methoxyethyl)pyridin-1-ium-3-carbonitrile; 4-methylbenzenesulfonate CAS Name: 1-(2-methoxyethyl)-3-pyridin-1-iumcarbonitrile; 4-methylbenzenesulfonate IUPAC Name: 1-(2-methoxyethyl)pyridin-1-ium-3-carbonitrile; 4-methylbenzenesulfonate Traditional Name: 1-(2-methoxyethyl)pyridin-1-ium-3-carbonitrile tosylate Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N2O.C7H8O3S/c1-12-6-5-11-4-2-3-9(7-10)8-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,8H,5-6H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1