3-[4-[2-(2-fluoranyl-4-methyl-phenoxy)ethyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[2-(2-fluoranyl-4-methyl-phenoxy)ethyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[2-(2-fluoro-4-methyl-phenoxy)ethyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid CAS Name: 3-[4-[2-(2-fluoro-4-methylphenoxy)ethyl]-4-morpholin-4-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[2-(2-fluoro-4-methylphenoxy)ethyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[2-(2-fluoro-4-methyl-phenoxy)ethyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Formula: C16H25FNO5S+ MolecularWeight: 362.436803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[N+]2(CCOCC2)CCCS(=O)(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[N+]2(CCOCC2)CCCS(=O)(=O)O)F

InChI

InChI=1S/C16H24FNO5S/c1-14-3-4-16(15(17)13-14)23-11-8-18(6-9-22-10-7-18)5-2-12-24(19,20)21/h3-4,13H,2,5-12H2,1H3/p+1