(4-phenylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]methanone Traditional Name: (4-phenylpiperazino)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl]methanone Formula: C22H26F3N4O+ MolecularWeight: 419.46325

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H25F3N4O/c23-22(24,25)18-6-7-20(26-16-18)28-10-8-17(9-11-28)21(30)29-14-12-27(13-15-29)19-4-2-1-3-5-19/h1-7,16-17H,8-15H2/p+1