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

Systemtic Name: 4-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]butane-1-sulfonic acid Openeye Name: 4-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]butane-1-sulfonic acid CAS Name: 4-[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]-1-butanesulfonic acid IUPAC Name: 4-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]butane-1-sulfonic acid Traditional Name: 4-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]butane-1-sulfonic acid Formula: C19H21N2O5S+ MolecularWeight: 389.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-25-17-6-4-15(5-7-17)18-14-20-19(26-18)16-8-11-21(12-9-16)10-2-3-13-27(22,23)24/h4-9,11-12,14H,2-3,10,13H2,1H3/p+1