4-[(3-methoxyphenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-methoxyphenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-methoxyphenyl)methyl]-N-[2-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-methoxyphenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-m-anisyl-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Formula: C20H23F3N3O2+ MolecularWeight: 394.41073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2/c1-28-16-6-4-5-15(13-16)14-25-9-11-26(12-10-25)19(27)24-18-8-3-2-7-17(18)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)/p+1