1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one Formula: C23H30F3N5O+2 MolecularWeight: 449.51241

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H28F3N5O/c24-23(25,26)19-4-3-5-20(18-19)29-12-10-28(11-13-29)9-7-22(32)31-16-14-30(15-17-31)21-6-1-2-8-27-21/h1-6,8,18H,7,9-17H2/p+2