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

Systemtic Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butylazanium Openeye Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butylammonium CAS Name: 4-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]butylammonium IUPAC Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butylazanium Traditional Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butylammonium Formula: C15H24F3N3+2 MolecularWeight: 303.36637

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC[NH3+])C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCCC[NH3+])C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H22F3N3/c16-15(17,18)13-4-3-5-14(12-13)21-10-8-20(9-11-21)7-2-1-6-19/h3-5,12H,1-2,6-11,19H2/p+2