1-(azepan-1-yl)-2-[4-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(4-chloro-2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C18H26ClFN3O3S+ MolecularWeight: 418.933743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H25ClFN3O3S/c19-15-5-6-17(16(20)13-15)27(25,26)23-11-9-21(10-12-23)14-18(24)22-7-3-1-2-4-8-22/h5-6,13H,1-4,7-12,14H2/p+1