1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone Formula: C21H26F3N4O+ MolecularWeight: 407.45255

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=NN2CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O/c22-21(23,24)20-17-8-4-5-9-18(17)28(25-20)15-19(29)27-12-10-26(11-13-27)14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2/p+1