2-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoylamino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoylamino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(2-morpholinopyridin-1-ium-3-yl)methylcarbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[(2-morpholinopyridin-1-ium-3-yl)methylcarbamoylamino]acetamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3)C

InChI

InChI=1S/C22H29N5O3/c1-15-11-16(2)20(17(3)12-15)26-19(28)14-25-22(29)24-13-18-5-4-6-23-21(18)27-7-9-30-10-8-27/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,26,28)(H2,24,25,29)/p+1