2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline

Systemtic Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Openeye Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline CAS Name: 2-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-5-(trifluoromethyl)aniline IUPAC Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Traditional Name: [2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)phenyl]amine Formula: C17H23F3N5+ MolecularWeight: 354.39323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)N)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)N)C

InChI

InChI=1S/C17H22F3N5/c1-12-13(10-23(2)22-12)11-24-5-7-25(8-6-24)16-4-3-14(9-15(16)21)17(18,19)20/h3-4,9-10H,5-8,11,21H2,1-2H3/p+1