2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-piperidino-5-(trifluoromethyl)phenyl]acetamide Formula: C26H38F3N4O2+ MolecularWeight: 495.60073

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCCC4

InChI

InChI=1S/C26H37F3N4O2/c27-26(28,29)21-8-9-23(32-12-6-3-7-13-32)22(18-21)30-24(34)19-31-16-10-20(11-17-31)25(35)33-14-4-1-2-5-15-33/h8-9,18,20H,1-7,10-17,19H2,(H,30,34)/p+1