1-[4-ethoxy-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C21H26FN2O4S+ MolecularWeight: 421.505543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-3-28-21-8-7-17(16(2)25)13-18(21)15-23-9-11-24(12-10-23)29(26,27)20-6-4-5-19(22)14-20/h4-8,13-14H,3,9-12,15H2,1-2H3/p+1