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

Systemtic Name: 5-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]pentane-1-sulfonate Openeye Name: 5-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]pentane-1-sulfonate CAS Name: 5-[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]-1-pentanesulfonate IUPAC Name: 5-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]pentane-1-sulfonate Traditional Name: 5-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]pentane-1-sulfonate Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-26-18-7-5-16(6-8-18)19-15-21-20(27-19)17-9-12-22(13-10-17)11-3-2-4-14-28(23,24)25/h5-10,12-13,15H,2-4,11,14H2,1H3