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

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1-morpholinocyclohexyl)methyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1-morpholinocyclohexyl)methyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C23H38N5O2+ MolecularWeight: 416.58012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)N4CCOCC4

InChI

InChI=1S/C23H37N5O2/c29-22(19-27-12-10-26(11-13-27)18-21-6-2-5-9-24-21)25-20-23(7-3-1-4-8-23)28-14-16-30-17-15-28/h2,5-6,9H,1,3-4,7-8,10-20H2,(H,25,29)/p+1