2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-pyridin-2-yl]ethanol; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-pyridin-2-yl]ethanol; 4-methylbenzenesulfonic acid Openeye Name: 2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridyl]ethanol; 4-methylbenzenesulfonic acid CAS Name: 2-[6-(2,5-dimethyl-1-pyrrolyl)-4-methyl-2-pyridinyl]ethanol; 4-methylbenzenesulfonic acid IUPAC Name: 2-[6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-yl]ethanol; 4-methylbenzenesulfonic acid Traditional Name: 2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridyl]ethanol; tosylic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(N1C2=CC(=CC(=N2)CCO)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(N1C2=CC(=CC(=N2)CCO)C)C

InChI

InChI=1S/C14H18N2O.C7H8O3S/c1-10-8-13(6-7-17)15-14(9-10)16-11(2)4-5-12(16)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,8-9,17H,6-7H2,1-3H3;2-5H,1H3,(H,8,9,10)