3-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-24-16-5-3-14(4-6-16)17-13-19-18(25-17)15-7-10-20(11-8-15)9-2-12-26(21,22)23/h3-8,10-11,13H,2,9,12H2,1H3