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

Systemtic Name: 3-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-(4-methyl-5-phenyl-oxazol-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-(4-methyl-5-phenyl-2-oxazolyl)-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(4-methyl-5-phenyl-oxazol-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(OC(=N1)C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S/c1-14-17(15-6-3-2-4-7-15)24-18(19-14)16-8-11-20(12-9-16)10-5-13-25(21,22)23/h2-4,6-9,11-12H,5,10,13H2,1H3