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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

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