3-methyl-5-[2-oxidanidyl-6-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]pyridazin-2-ium-3-yl]-1,2,4-thiadiazole

Systemtic Name: 3-methyl-5-[2-oxidanidyl-6-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]pyridazin-2-ium-3-yl]-1,2,4-thiadiazole Openeye Name: 3-methyl-5-[2-oxido-6-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-piperidyl]pyridazin-2-ium-3-yl]-1,2,4-thiadiazole CAS Name: 3-methyl-5-[2-oxido-6-[4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1-piperidinyl]-3-pyridazin-2-iumyl]-1,2,4-thiadiazole IUPAC Name: 3-methyl-5-[2-oxido-6-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]pyridazin-2-ium-3-yl]-1,2,4-thiadiazole Traditional Name: 3-methyl-5-[2-oxido-6-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]piperidino]pyridazin-2-ium-3-yl]-1,2,4-thiadiazole Formula: C23H26F3N7OS MolecularWeight: 505.55905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=N1)C2=[N+](N=C(C=C2)N3CCC(CC3)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)[O-]

Isomeric SMILES

CC1=NSC(=N1)C2=[N+](N=C(C=C2)N3CCC(CC3)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)[O-]

InChI

InChI=1S/C23H26F3N7OS/c1-16-27-22(35-29-16)20-5-6-21(28-33(20)34)32-9-7-18(8-10-32)30-11-13-31(14-12-30)19-4-2-3-17(15-19)23(24,25)26/h2-6,15,18H,7-14H2,1H3