1-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-ethyl-4-(3-fluoro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-ethyl-4-(3-fluoro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C13H20FN2O3S+ MolecularWeight: 303.372903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C13H19FN2O3S/c1-3-15-6-8-16(9-7-15)20(17,18)11-4-5-13(19-2)12(14)10-11/h4-5,10H,3,6-9H2,1-2H3/p+1