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

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d][1,3]oxazole Openeye Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d]oxazole CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-4-pyridin-1-iumyl)-4H-indeno[2,1-d]oxazole IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d][1,3]oxazole Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d]oxazole tosylate Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC3=C(O2)C4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC3=C(O2)C4=CC=CC=C4C3

InChI

InChI=1S/C16H13N2O.C7H8O3S/c1-18-8-6-11(7-9-18)16-17-14-10-12-4-2-3-5-13(12)15(14)19-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,10H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1