1-oxidanidyl-6-[2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazin-1-ium

Systemtic Name: 1-oxidanidyl-6-[2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazin-1-ium Openeye Name: 1-oxido-6-[2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]-1-piperidyl]pyridazin-1-ium CAS Name: 1-oxido-6-[2-(1-piperazinyl)-2-[3-(trifluoromethyl)phenyl]-1-piperidinyl]pyridazin-1-ium IUPAC Name: 1-oxido-6-[2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazin-1-ium Traditional Name: 1-oxido-6-[2-piperazino-2-[3-(trifluoromethyl)phenyl]piperidino]pyridazin-1-ium Formula: C20H24F3N5O MolecularWeight: 407.43267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C2=CC(=CC=C2)C(F)(F)F)N3CCNCC3)C4=[N+](N=CC=C4)[O-]

Isomeric SMILES

C1CCN(C(C1)(C2=CC(=CC=C2)C(F)(F)F)N3CCNCC3)C4=[N+](N=CC=C4)[O-]

InChI

InChI=1S/C20H24F3N5O/c21-20(22,23)17-6-3-5-16(15-17)19(26-13-10-24-11-14-26)8-1-2-12-27(19)18-7-4-9-25-28(18)29/h3-7,9,15,24H,1-2,8,10-14H2