(2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-ethanone CAS Name: (2S)-2-(2-fluorophenyl)-2-(4-methyl-1-piperazin-1-iumyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazino-ethanone Formula: C17H26FN4O+ MolecularWeight: 321.412943

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(C2=CC=CC=C2F)C(=O)N3CCNCC3

Isomeric SMILES

CN1CC[NH+](CC1)[C@@H](C2=CC=CC=C2F)C(=O)N3CCNCC3

InChI

InChI=1S/C17H25FN4O/c1-20-10-12-21(13-11-20)16(14-4-2-3-5-15(14)18)17(23)22-8-6-19-7-9-22/h2-5,16,19H,6-13H2,1H3/p+1/t16-/m0/s1