(2S)-2-phenyl-1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: (2S)-2-phenyl-1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanone Openeye Name: (2S)-2-phenyl-1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]ethanone CAS Name: (2S)-2-phenyl-1-(1-pyrrolidinyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: (2S)-2-phenyl-1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanone Traditional Name: (2S)-2-phenyl-1-pyrrolidino-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]ethanone Formula: C22H26F3N4O+ MolecularWeight: 419.46325

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H25F3N4O/c23-22(24,25)18-8-9-19(26-16-18)27-12-14-28(15-13-27)20(17-6-2-1-3-7-17)21(30)29-10-4-5-11-29/h1-3,6-9,16,20H,4-5,10-15H2/p+1/t20-/m0/s1