2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone Formula: C23H30FN4O+ MolecularWeight: 397.508903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN4O/c24-21-6-8-22(9-7-21)27-14-10-26(11-15-27)19-23(29)28-16-12-25(13-17-28)18-20-4-2-1-3-5-20/h1-9H,10-19H2/p+1