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

Systemtic Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Openeye Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline CAS Name: 2-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-5-(trifluoromethyl)aniline IUPAC Name: 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Traditional Name: [2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)phenyl]amine Formula: C18H25F3N5+ MolecularWeight: 368.41981

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C18H24F3N5/c1-3-26-12-14(13(2)23-26)11-24-6-8-25(9-7-24)17-5-4-15(10-16(17)22)18(19,20)21/h4-5,10,12H,3,6-9,11,22H2,1-2H3/p+1