2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C23H37FN4O2+2 MolecularWeight: 420.563883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)[NH+]4CCOCC4

InChI

InChI=1S/C23H35FN4O2/c24-20-4-6-21(7-5-20)27-12-10-26(11-13-27)18-22(29)25-19-23(8-2-1-3-9-23)28-14-16-30-17-15-28/h4-7H,1-3,8-19H2,(H,25,29)/p+2