2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C21H29F3N3O2+ MolecularWeight: 412.46907

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

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