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

Systemtic Name: 4-[4-[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[5-[4-(4-methoxyphenyl)phenyl]oxazol-2-yl]pyridin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[5-[4-(4-methoxyphenyl)phenyl]-2-oxazolyl]-1-pyridin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[5-[4-(4-methoxyphenyl)phenyl]oxazol-2-yl]pyridin-1-ium-1-yl]butane-1-sulfonate Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=[N+](C=C4)CCCCS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=[N+](C=C4)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C25H24N2O5S/c1-31-23-10-8-20(9-11-23)19-4-6-21(7-5-19)24-18-26-25(32-24)22-12-15-27(16-13-22)14-2-3-17-33(28,29)30/h4-13,15-16,18H,2-3,14,17H2,1H3