1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-fluoro-2-methoxy-phenyl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(5-fluoro-2-methoxy-benzyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C20H24FN2O3S+ MolecularWeight: 391.479563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H23FN2O3S/c1-26-20-8-7-19(21)15-18(20)16-22-10-12-23(13-11-22)27(24,25)14-9-17-5-3-2-4-6-17/h2-9,14-15H,10-13,16H2,1H3/p+1/b14-9+