1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(2,4-dimethoxy-3-methyl-benzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C21H26F3N2O2+ MolecularWeight: 395.43855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)OC

InChI

InChI=1S/C21H25F3N2O2/c1-15-19(27-2)8-7-16(20(15)28-3)14-25-9-11-26(12-10-25)18-6-4-5-17(13-18)21(22,23)24/h4-8,13H,9-12,14H2,1-3H3/p+1