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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium Formula: C18H21F2N2O2S+ MolecularWeight: 367.433346

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3F

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3F

InChI

InChI=1S/C18H20F2N2O2S/c19-16-6-8-17(9-7-16)25(23,24)22-11-3-10-21(12-13-22)14-15-4-1-2-5-18(15)20/h1-2,4-9H,3,10-14H2/p+1