4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzonitrile Formula: C18H16F3N4O+ MolecularWeight: 361.34105

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15F3N4O/c19-18(20,21)15-5-6-16(23-12-15)24-7-9-25(10-8-24)17(26)14-3-1-13(11-22)2-4-14/h1-6,12H,7-10H2/p+1