5-(4-tert-butylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonic acid

Systemtic Name: 5-(4-tert-butylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonic acid Openeye Name: 5-(4-tert-butylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)oxazole; 4-methylbenzenesulfonic acid CAS Name: 5-(4-tert-butylphenyl)-2-(1-ethyl-4-pyridin-1-iumyl)oxazole; 4-methylbenzenesulfonic acid IUPAC Name: 5-(4-tert-butylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonic acid Traditional Name: 5-(4-tert-butylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)oxazole; tosylic acid Formula: C27H31N2O4S+ MolecularWeight: 479.61104

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)C(C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)C(C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H23N2O.C7H8O3S/c1-5-22-12-10-16(11-13-22)19-21-14-18(23-19)15-6-8-17(9-7-15)20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;