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

Systemtic Name: 2-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]ethanesulfonate Openeye Name: 2-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]ethanesulfonate Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-23-15-4-2-13(3-5-15)16-12-18-17(24-16)14-6-8-19(9-7-14)10-11-25(20,21)22/h2-9,12H,10-11H2,1H3