1-(1-methylpiperidin-1-ium-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-(1-methylpiperidin-1-ium-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-(1-methylpiperidin-1-ium-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-(1-methyl-4-piperidin-1-iumyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-(1-methylpiperidin-1-ium-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(1-methylpiperidin-1-ium-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C17H26F3N3+2 MolecularWeight: 329.40365

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H24F3N3/c1-21-7-5-15(6-8-21)22-9-11-23(12-10-22)16-4-2-3-14(13-16)17(18,19)20/h2-4,13,15H,5-12H2,1H3/p+2