3-[[(2R)-2-azaniumyl-4-methylsulfonyl-butanoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(2R)-2-azaniumyl-4-methylsulfonyl-butanoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(2R)-2-azaniumyl-4-methylsulfonyl-butanoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(2R)-2-ammonio-4-methylsulfonyl-1-oxobutyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(2R)-2-azaniumyl-4-methylsulfonylbutanoyl]amino]propyl-diethylazanium Traditional Name: 3-[[(2R)-2-ammonio-4-mesyl-butanoyl]amino]propyl-diethyl-ammonium Formula: C12H29N3O3S+2 MolecularWeight: 295.44196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)[C@@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C12H27N3O3S/c1-4-15(5-2)9-6-8-14-12(16)11(13)7-10-19(3,17)18/h11H,4-10,13H2,1-3H3,(H,14,16)/p+2/t11-/m1/s1