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

Systemtic Name: N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(m-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(m-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C20H23F3N3O+ MolecularWeight: 378.41133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3N3O/c1-15-4-2-6-17(12-15)24-19(27)14-25-8-10-26(11-9-25)18-7-3-5-16(13-18)20(21,22)23/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)/p+1