methanesulfonate; 4-[5-(4-methoxyphenyl)furan-2-yl]-1-methyl-pyridin-1-ium

Systemtic Name: methanesulfonate; 4-[5-(4-methoxyphenyl)furan-2-yl]-1-methyl-pyridin-1-ium Openeye Name: methanesulfonate; 4-[5-(4-methoxyphenyl)-2-furyl]-1-methyl-pyridin-1-ium CAS Name: methanesulfonate; 4-[5-(4-methoxyphenyl)-2-furanyl]-1-methylpyridin-1-ium IUPAC Name: methanesulfonate; 4-[5-(4-methoxyphenyl)furan-2-yl]-1-methylpyridin-1-ium Traditional Name: 4-[5-(4-methoxyphenyl)-2-furyl]-1-methyl-pyridin-1-ium mesylate Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16NO2.CH4O3S/c1-18-11-9-14(10-12-18)17-8-7-16(20-17)13-3-5-15(19-2)6-4-13;1-5(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1