1-[[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(2,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C21H21F2N2O3S+ MolecularWeight: 419.464846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H20F2N2O3S/c22-16-6-8-21(19(23)13-16)29(27,28)25-11-9-24(10-12-25)14-18-17-4-2-1-3-15(17)5-7-20(18)26/h1-8,13,26H,9-12,14H2/p+1