4-tert-butyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: 4-tert-butyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: 4-tert-butyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]cyclohexanecarboxamide CAS Name: 4-tert-butyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: 4-tert-butyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-tert-butyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]cyclohexanecarboxamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H33N3O2/c1-21(2,3)18-7-5-17(6-8-18)20(25)23-15-16-4-9-19(22-14-16)24-10-12-26-13-11-24/h4,9,14,17-18H,5-8,10-13,15H2,1-3H3,(H,23,25)/p+1