1-phenyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-phenyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-phenyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]-3-piperidyl]piperazin-4-ium CAS Name: 1-phenyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazin-4-ium Traditional Name: 1-phenyl-4-[(3S)-1-[2-(trifluoromethyl)benzyl]-3-piperidyl]piperazin-4-ium Formula: C23H29F3N3+ MolecularWeight: 404.49167

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2C(F)(F)F)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CC=C2C(F)(F)F)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28F3N3/c24-23(25,26)22-11-5-4-7-19(22)17-27-12-6-10-21(18-27)29-15-13-28(14-16-29)20-8-2-1-3-9-20/h1-5,7-9,11,21H,6,10,12-18H2/p+1/t21-/m0/s1