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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]acetamide Formula: C25H36F3N4O2+ MolecularWeight: 481.57415

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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)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4

InChI

InChI=1S/C25H35F3N4O2/c26-25(27,28)20-7-8-22(31-11-5-6-12-31)21(17-20)29-23(33)18-30-15-9-19(10-16-30)24(34)32-13-3-1-2-4-14-32/h7-8,17,19H,1-6,9-16,18H2,(H,29,33)/p+1