N-(3-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C20H22F3N4O4+ MolecularWeight: 439.40829

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21F3N4O4/c1-31-16-4-2-3-15(12-16)24-19(28)13-25-7-9-26(10-8-25)17-6-5-14(20(21,22)23)11-18(17)27(29)30/h2-6,11-12H,7-10,13H2,1H3,(H,24,28)/p+1