1-[2-(4-fluoranylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-[2-(4-fluoranylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium Openeye Name: 1-[2-(4-fluorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium CAS Name: 1-[2-(4-fluorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-[2-(4-fluorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-[2-(4-fluorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium Formula: C19H23F2N2O3S+ MolecularWeight: 397.459326

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CCOC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22F2N2O3S/c20-16-2-6-18(7-3-16)26-15-14-22-10-1-11-23(13-12-22)27(24,25)19-8-4-17(21)5-9-19/h2-9H,1,10-15H2/p+1