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

Systemtic Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzaldehyde Openeye Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzaldehyde CAS Name: 2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]benzaldehyde IUPAC Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzaldehyde Traditional Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]benzaldehyde Formula: C17H17F3N3O+ MolecularWeight: 336.33159

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=CC=CC=C3C=O

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=CC=CC=C3C=O

InChI

InChI=1S/C17H16F3N3O/c18-17(19,20)14-5-6-16(21-11-14)23-9-7-22(8-10-23)15-4-2-1-3-13(15)12-24/h1-6,11-12H,7-10H2/p+1