3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C19H21FN3O4S+ MolecularWeight: 406.451143

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H20FN3O4S/c20-15-6-8-16(9-7-15)28(25,26)22-11-3-10-21(12-13-22)14-23-17-4-1-2-5-18(17)27-19(23)24/h1-2,4-9H,3,10-14H2/p+1