sodium 6-aminocarbonyl-1-[[dimethyl-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azaniumyl]methylamino]-2,2-dimethyl-1-oxidanylidene-octane-4-sulfonate

Systemtic Name: sodium 6-aminocarbonyl-1-[[dimethyl-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azaniumyl]methylamino]-2,2-dimethyl-1-oxidanylidene-octane-4-sulfonate Openeye Name: sodium 6-carbamoyl-1-[[[2-hydroxy-3-(trimethylammonio)propyl]-dimethyl-ammonio]methylamino]-2,2-dimethyl-1-oxo-octane-4-sulfonate CAS Name: sodium 6-carbamoyl-1-[[[2-hydroxy-3-(trimethylammonio)propyl]-dimethylammonio]methylamino]-2,2-dimethyl-1-oxo-4-octanesulfonate IUPAC Name: sodium 6-carbamoyl-1-[[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]methylamino]-2,2-dimethyl-1-oxooctane-4-sulfonate Traditional Name: sodium 6-carbamoyl-1-[[[2-hydroxy-3-(trimethylammonio)propyl]-dimethyl-ammonio]methylamino]-1-keto-2,2-dimethyl-octane-4-sulfonate Formula: C20H43N4NaO6S+2 MolecularWeight: 490.63339

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.[Na+]

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.[Na+]

InChI

InChI=1S/C20H42N4O6S.Na/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);/q;+1/p+1