N-cycloheptyl-2-[(2R)-3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-cycloheptyl-2-[(2R)-3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cycloheptyl-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-cycloheptyl-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-cycloheptyl-2-[(2R)-3-keto-1-[3-(trifluoromethyl)benzyl]piperazin-1-ium-2-yl]acetamide Formula: C21H29F3N3O2+ MolecularWeight: 412.46907

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H28F3N3O2/c22-21(23,24)16-7-5-6-15(12-16)14-27-11-10-25-20(29)18(27)13-19(28)26-17-8-3-1-2-4-9-17/h5-7,12,17-18H,1-4,8-11,13-14H2,(H,25,29)(H,26,28)/p+1/t18-/m1/s1