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

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Openeye Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline CAS Name: 2-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-5-(trifluoromethyl)aniline IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Traditional Name: [2-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)phenyl]amine Formula: C18H20F4N3+ MolecularWeight: 354.365113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F4N3/c19-15-3-1-2-13(10-15)12-24-6-8-25(9-7-24)17-5-4-14(11-16(17)23)18(20,21)22/h1-5,10-11H,6-9,12,23H2/p+1