2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C20H19F3N5+ MolecularWeight: 386.39357

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5/c21-20(22,23)16-4-5-19(25-12-16)27-9-7-26(8-10-27)13-15-14-28-6-2-1-3-18(28)17(15)11-24/h1-6,12,14H,7-10,13H2/p+1