4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Formula: C20H22ClF3N3O2+ MolecularWeight: 428.85579

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21ClF3N3O2/c1-29-18-6-5-16(21)11-14(18)13-26-7-9-27(10-8-26)19(28)25-17-4-2-3-15(12-17)20(22,23)24/h2-6,11-12H,7-10,13H2,1H3,(H,25,28)/p+1