5-(4-butoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; methanesulfonate

Systemtic Name: 5-(4-butoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; methanesulfonate Openeye Name: 5-(4-butoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole; methanesulfonate CAS Name: 5-(4-butoxyphenyl)-2-(1-methyl-4-pyridin-1-iumyl)oxazole; methanesulfonate IUPAC Name: 5-(4-butoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; methanesulfonate Traditional Name: 5-(4-butoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole mesylate Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H21N2O2.CH4O3S/c1-3-4-13-22-17-7-5-15(6-8-17)18-14-20-19(23-18)16-9-11-21(2)12-10-16;1-5(2,3)4/h5-12,14H,3-4,13H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1