[(6-aminocarbonyl-2,2-dimethyl-4-sulfo-octanoyl)amino]methyl-dimethyl-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azanium

Systemtic Name: [(6-aminocarbonyl-2,2-dimethyl-4-sulfo-octanoyl)amino]methyl-dimethyl-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azanium Openeye Name: [(6-carbamoyl-2,2-dimethyl-4-sulfo-octanoyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethyl-ammonium CAS Name: [(6-carbamoyl-2,2-dimethyl-1-oxo-4-sulfooctyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethylammonium IUPAC Name: [(6-carbamoyl-2,2-dimethyl-4-sulfooctanoyl)amino]methyl-[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazanium Traditional Name: [(6-carbamoyl-2,2-dimethyl-4-sulfo-octanoyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethyl-ammonium Formula: C20H44N4O6S+2 MolecularWeight: 468.65156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(C)C(=O)NC[N+](C)(C)CC(C[N+](C)(C)C)O)S(=O)(=O)O)C(=O)N

Isomeric SMILES

CCC(CC(CC(C)(C)C(=O)NC[N+](C)(C)CC(C[N+](C)(C)C)O)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C20H42N4O6S/c1-9-15(18(21)26)10-17(31(28,29)30)11-20(2,3)19(27)22-14-24(7,8)13-16(25)12-23(4,5)6/h15-17,25H,9-14H2,1-8H3,(H2-2,21,22,26,27,28,29,30)/p+2