1-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol

Systemtic Name: 1-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol Openeye Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol CAS Name: 1-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methoxy-2-naphthalenol IUPAC Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxynaphthalen-2-ol Traditional Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-2-naphthol Formula: C22H23F2N2O4S+ MolecularWeight: 449.490826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F)O

InChI

InChI=1S/C22H22F2N2O4S/c1-30-16-7-5-15-6-8-21(27)18(17(15)13-16)14-25-9-11-26(12-10-25)31(28,29)22-19(23)3-2-4-20(22)24/h2-8,13,27H,9-12,14H2,1H3/p+1