2-(3,4-dihydro-2H-chromen-6-yl)-5-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; methanesulfonate

Systemtic Name: 2-(3,4-dihydro-2H-chromen-6-yl)-5-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; methanesulfonate Openeye Name: 2-chroman-6-yl-5-(1-methylpyridin-1-ium-4-yl)oxazole; methanesulfonate CAS Name: 2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-(1-methyl-4-pyridin-1-iumyl)oxazole; methanesulfonate IUPAC Name: 2-(3,4-dihydro-2H-chromen-6-yl)-5-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; methanesulfonate Traditional Name: 2-chroman-6-yl-5-(1-methylpyridin-1-ium-4-yl)oxazole mesylate Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CN=C(O2)C3=CC4=C(C=C3)OCCC4.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CN=C(O2)C3=CC4=C(C=C3)OCCC4.CS(=O)(=O)[O-]

InChI

InChI=1S/C18H17N2O2.CH4O3S/c1-20-8-6-13(7-9-20)17-12-19-18(22-17)15-4-5-16-14(11-15)3-2-10-21-16;1-5(2,3)4/h4-9,11-12H,2-3,10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1