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

Systemtic Name: (2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-fluorophenyl)-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-fluorophenyl)-2-phenyl-acetamide CAS Name: (2R)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-fluorophenyl)-2-phenylacetamide IUPAC Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide Traditional Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-fluorophenyl)-2-phenyl-acetamide Formula: C26H33FN3O2+ MolecularWeight: 438.557523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)[C@H](C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN3O2/c27-22-10-12-23(13-11-22)28-25(31)24(20-8-4-3-5-9-20)29-18-14-21(15-19-29)26(32)30-16-6-1-2-7-17-30/h3-5,8-13,21,24H,1-2,6-7,14-19H2,(H,28,31)/p+1/t24-/m1/s1