[(2S)-4-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-4-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)butyl]ammonium CAS Name: [(2S)-4-methyl-1-[2-(4-morpholin-4-iumyl)ethylamino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)butyl]ammonium Formula: C12H27N3O2+2 MolecularWeight: 245.36168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC[NH+]1CCOCC1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC[NH+]1CCOCC1)[NH3+]

InChI

InChI=1S/C12H25N3O2/c1-10(2)9-11(13)12(16)14-3-4-15-5-7-17-8-6-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/p+2/t11-/m0/s1