2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-6-prop-2-enyl-phenol

Systemtic Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-6-prop-2-enyl-phenol Openeye Name: 2-allyl-6-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methoxy-6-prop-2-enylphenol IUPAC Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-6-prop-2-enylphenol Traditional Name: 2-allyl-6-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C21H26FN2O4S+ MolecularWeight: 421.505543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)CC=C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC(=C(C(=C1)CC=C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O4S/c1-3-6-16-13-18(28-2)14-17(21(16)25)15-23-9-11-24(12-10-23)29(26,27)20-8-5-4-7-19(20)22/h3-5,7-8,13-14,25H,1,6,9-12,15H2,2H3/p+1