1-[(2-methylphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C19H21F3N3O2+ MolecularWeight: 380.38415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O2/c1-14-4-2-3-5-15(14)13-23-8-10-24(11-9-23)17-7-6-16(19(20,21)22)12-18(17)25(26)27/h2-7,12H,8-11,13H2,1H3/p+1