5-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-3-methyl-1-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 5-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 5-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-3-methyl-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 5-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-3-methyl-1-phenylpyrazole-4-carbaldehyde Traditional Name: 5-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Formula: C21H20ClF3N5O+ MolecularWeight: 450.86461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClF3N5O/c1-14-17(13-31)20(30(27-14)16-5-3-2-4-6-16)29-9-7-28(8-10-29)19-18(22)11-15(12-26-19)21(23,24)25/h2-6,11-13H,7-10H2,1H3/p+1