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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)aniline CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-(trifluoromethyl)aniline IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)aniline Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]amine Formula: C18H21F3N3+ MolecularWeight: 336.37465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C18H20F3N3/c19-18(20,21)15-6-7-17(16(22)12-15)24-10-8-23(9-11-24)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,22H2/p+1