2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline

Systemtic Name: 2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Openeye Name: 2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline CAS Name: 2-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-5-(trifluoromethyl)aniline IUPAC Name: 2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Traditional Name: [2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)phenyl]amine Formula: C16H21F3N5+ MolecularWeight: 340.36665

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C16H20F3N5/c1-22-10-12(9-21-22)11-23-4-6-24(7-5-23)15-3-2-13(8-14(15)20)16(17,18)19/h2-3,8-10H,4-7,11,20H2,1H3/p+1