1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(2-methoxy-5-methyl-benzyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C20H23F3N3O3+ MolecularWeight: 410.41013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22F3N3O3/c1-14-3-6-19(29-2)15(11-14)13-24-7-9-25(10-8-24)17-5-4-16(20(21,22)23)12-18(17)26(27)28/h3-6,11-12H,7-10,13H2,1-2H3/p+1