4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole Openeye Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-4-pyridin-1-iumyl)-4,5-dihydrobenzo[g][1,3]benzoxazole IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole tosylate Formula: C24H22N2O4S MolecularWeight: 434.50748

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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=C4CC3

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=C4CC3

InChI

InChI=1S/C17H15N2O.C7H8O3S/c1-19-10-8-13(9-11-19)17-18-15-7-6-12-4-2-3-5-14(12)16(15)20-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,8-11H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1