3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[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=CC(=C3)C#N

Isomeric SMILES

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

InChI

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