N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]cyclopentanecarboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]cyclopentanecarboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]cyclopentanecarboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]cyclopentanecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]cyclopentanecarboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]cyclopentanecarboxamide Formula: C18H25F3N3O+ MolecularWeight: 356.40581

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CCCC3

InChI

InChI=1S/C18H24F3N3O/c1-23-8-10-24(11-9-23)16-7-6-14(18(19,20)21)12-15(16)22-17(25)13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,25)/p+1