2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Formula: C18H19F3N4+2 MolecularWeight: 348.36547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C18H17F3N4/c19-18(20,21)16-5-3-14(4-6-16)13-24-8-10-25(11-9-24)17-15(12-22)2-1-7-23-17/h1-7H,8-11,13H2/p+2