2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-ium-1-yl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[4-acetamido-4-(4-fluorophenyl)-1-piperidin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide Formula: C21H31FN3O2+ MolecularWeight: 376.488143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC[NH+](CC1)CC(=O)NC2CCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1(CC[NH+](CC1)CC(=O)NC2CCCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O2/c1-16(26)24-21(17-7-9-18(22)10-8-17)11-13-25(14-12-21)15-20(27)23-19-5-3-2-4-6-19/h7-10,19H,2-6,11-15H2,1H3,(H,23,27)(H,24,26)/p+1