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

Systemtic Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; methanesulfonate Openeye Name: 5-(2,3-dihydrobenzofuran-5-yl)-2-(1-methylpyridin-1-ium-4-yl)oxazole; methanesulfonate CAS Name: 5-(2,3-dihydrobenzofuran-5-yl)-2-(1-methyl-4-pyridin-1-iumyl)oxazole; methanesulfonate IUPAC Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; methanesulfonate Traditional Name: 5-coumaran-5-yl-2-(1-methylpyridin-1-ium-4-yl)oxazole mesylate Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC4=C(C=C3)OCC4.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC4=C(C=C3)OCC4.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H15N2O2.CH4O3S/c1-19-7-4-12(5-8-19)17-18-11-16(21-17)13-2-3-15-14(10-13)6-9-20-15;1-5(2,3)4/h2-5,7-8,10-11H,6,9H2,1H3;1H3,(H,2,3,4)/q+1;/p-1