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

Systemtic Name: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionitrile Formula: C15H19F3N3+ MolecularWeight: 298.32667

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)CCC#N

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)CCC#N

InChI

InChI=1S/C15H19F3N3/c1-21(9-3-6-19)10-7-20(8-11-21)14-5-2-4-13(12-14)15(16,17)18/h2,4-5,12H,3,7-11H2,1H3/q+1