1-(1-butyl-6-methyl-pyridin-1-ium-3-yl)ethanone; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(1-butyl-6-methyl-pyridin-1-ium-3-yl)ethanone; 4-methylbenzenesulfonic acid Openeye Name: 1-(1-butyl-6-methyl-pyridin-1-ium-3-yl)ethanone; 4-methylbenzenesulfonic acid CAS Name: 1-(1-butyl-6-methyl-3-pyridin-1-iumyl)ethanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-(1-butyl-6-methylpyridin-1-ium-3-yl)ethanone; 4-methylbenzenesulfonic acid Traditional Name: 1-(1-butyl-6-methyl-pyridin-1-ium-3-yl)ethanone; tosylic acid Formula: C19H26NO4S+ MolecularWeight: 364.47904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=CC(=C1)C(=O)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC[N+]1=C(C=CC(=C1)C(=O)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H18NO.C7H8O3S/c1-4-5-8-13-9-12(11(3)14)7-6-10(13)2;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,9H,4-5,8H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;