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

Systemtic Name: 7-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate Openeye Name: 7-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate CAS Name: 7-methoxy-2-(1-methyl-4-pyridin-1-iumyl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate IUPAC Name: 7-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate Traditional Name: 7-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole tosylate Formula: C25H24N2O5S MolecularWeight: 464.53346

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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=C(CC3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC3=C(O2)C4=C(CC3)C=C(C=C4)OC

InChI

InChI=1S/C18H17N2O2.C7H8O3S/c1-20-9-7-12(8-10-20)18-19-16-6-3-13-11-14(21-2)4-5-15(13)17(16)22-18;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7-11H,3,6H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1