[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridyl]methanone Formula: C25H25F3N3O+ MolecularWeight: 440.48071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24F3N3O/c1-18-21(12-13-22(29-18)25(26,27)28)24(32)31-16-14-30(15-17-31)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,23H,14-17H2,1H3/p+1