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

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C19H21FN3O2S2+ MolecularWeight: 406.517343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20FN3O2S2/c20-15-6-8-16(9-7-15)27(24,25)23-11-3-10-22(12-13-23)14-19-21-17-4-1-2-5-18(17)26-19/h1-2,4-9H,3,10-14H2/p+1