2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]acetamide Formula: C22H28F3N5O+2 MolecularWeight: 435.48583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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