1-(4-phenylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-phenylpiperazino)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]ethanone Formula: C22H27F3N5O+ MolecularWeight: 434.47789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F3N5O/c23-22(24,25)18-6-7-20(26-16-18)29-10-8-27(9-11-29)17-21(31)30-14-12-28(13-15-30)19-4-2-1-3-5-19/h1-7,16H,8-15,17H2/p+1