1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-2-naphthol Formula: C22H24FN2O3S+ MolecularWeight: 415.500963

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C22H23FN2O3S/c23-18-7-9-19(10-8-18)29(27,28)25-13-3-12-24(14-15-25)16-21-20-5-2-1-4-17(20)6-11-22(21)26/h1-2,4-11,26H,3,12-16H2/p+1