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

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-6-prop-2-enyl-phenol Openeye Name: 2-allyl-6-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methoxy-6-prop-2-enylphenol IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-6-prop-2-enylphenol Traditional Name: 2-allyl-6-[[4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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