2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C23H30FN4O3S+ MolecularWeight: 461.572703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29FN4O3S/c24-20-7-9-22(10-8-20)32(30,31)28-12-4-11-25(13-18-28)19-23(29)27-16-14-26(15-17-27)21-5-2-1-3-6-21/h1-3,5-10H,4,11-19H2/p+1