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

Systemtic Name: 6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate Openeye Name: 6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate CAS Name: 6-methoxy-2-(1-methyl-4-pyridin-1-iumyl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate IUPAC Name: 6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole; 4-methylbenzenesulfonate Traditional Name: 6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4,5-dihydrobenzo[g][1,3]benzoxazole tosylate Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

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(=CC=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(=CC=C4)OC

InChI

InChI=1S/C18H17N2O2.C7H8O3S/c1-20-10-8-12(9-11-20)18-19-15-7-6-13-14(17(15)22-18)4-3-5-16(13)21-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,8-11H,6-7H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1