2-azanyl-1-[3-[2,3-bis(trifluoromethyl)phenyl]-3-ethanoyl-2-phenyl-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone

Systemtic Name: 2-azanyl-1-[3-[2,3-bis(trifluoromethyl)phenyl]-3-ethanoyl-2-phenyl-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone Openeye Name: 1-[3-acetyl-1-benzyl-3-[2,3-bis(trifluoromethyl)phenyl]-2-phenyl-1-(4-piperidyl)piperazin-1-ium-2-yl]-2-amino-ethanone CAS Name: 1-[3-acetyl-3-[2,3-bis(trifluoromethyl)phenyl]-2-phenyl-1-(phenylmethyl)-1-(4-piperidinyl)-2-piperazin-1-iumyl]-2-aminoethanone IUPAC Name: 1-[3-acetyl-1-benzyl-3-[2,3-bis(trifluoromethyl)phenyl]-2-phenyl-1-piperidin-4-ylpiperazin-1-ium-2-yl]-2-aminoethanone Traditional Name: 1-[3-acetyl-1-benzyl-3-[2,3-bis(trifluoromethyl)phenyl]-2-phenyl-1-(4-piperidyl)piperazin-1-ium-2-yl]-2-amino-ethanone Formula: C34H37F6N4O2+ MolecularWeight: 647.673599

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C([N+](CCN1)(CC2=CC=CC=C2)C3CCNCC3)(C4=CC=CC=C4)C(=O)CN)C5=C(C(=CC=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)C1(C([N+](CCN1)(CC2=CC=CC=C2)C3CCNCC3)(C4=CC=CC=C4)C(=O)CN)C5=C(C(=CC=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C34H37F6N4O2/c1-23(45)31(27-13-8-14-28(33(35,36)37)30(27)34(38,39)40)32(29(46)21-41,25-11-6-3-7-12-25)44(20-19-43-31,26-15-17-42-18-16-26)22-24-9-4-2-5-10-24/h2-14,26,42-43H,15-22,41H2,1H3/q+1