4,4-dimethyl-2-(1-methylpyridin-1-ium-4-yl)indeno[2,1-d][1,3]oxazole; 4-methylbenzenesulfonate

Systemtic Name: 4,4-dimethyl-2-(1-methylpyridin-1-ium-4-yl)indeno[2,1-d][1,3]oxazole; 4-methylbenzenesulfonate Openeye Name: 4,4-dimethyl-2-(1-methylpyridin-1-ium-4-yl)indeno[2,1-d]oxazole; 4-methylbenzenesulfonate CAS Name: 4,4-dimethyl-2-(1-methyl-4-pyridin-1-iumyl)indeno[2,1-d]oxazole; 4-methylbenzenesulfonate IUPAC Name: 4,4-dimethyl-2-(1-methylpyridin-1-ium-4-yl)indeno[2,1-d][1,3]oxazole; 4-methylbenzenesulfonate Traditional Name: 4,4-dimethyl-2-(1-methylpyridin-1-ium-4-yl)indeno[2,1-d]oxazole tosylate Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=CC=CC=C2C3=C1N=C(O3)C4=CC=[N+](C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=CC=CC=C2C3=C1N=C(O3)C4=CC=[N+](C=C4)C)C

InChI

InChI=1S/C18H17N2O.C7H8O3S/c1-18(2)14-7-5-4-6-13(14)15-16(18)19-17(21-15)12-8-10-20(3)11-9-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1