(1-azanyl-3-butyl-3-oxidanyl-1-oxidanylidene-heptan-2-yl)-trimethyl-azanium sulfate

Systemtic Name: (1-azanyl-3-butyl-3-oxidanyl-1-oxidanylidene-heptan-2-yl)-trimethyl-azanium sulfate Openeye Name: (2-butyl-1-carbamoyl-2-hydroxy-hexyl)-trimethyl-ammonium sulfate CAS Name: (1-amino-3-butyl-3-hydroxy-1-oxoheptan-2-yl)-trimethylammonium sulfate IUPAC Name: (1-amino-3-butyl-3-hydroxy-1-oxoheptan-2-yl)-trimethylazanium sulfate Traditional Name: (2-butyl-1-carbamoyl-2-hydroxy-hexyl)-trimethyl-ammonium sulfate Formula: C28H62N4O8S MolecularWeight: 614.87888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(C(=O)N)[N+](C)(C)C)O.CCCCC(CCCC)(C(C(=O)N)[N+](C)(C)C)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CCCC)(C(C(=O)N)[N+](C)(C)C)O.CCCCC(CCCC)(C(C(=O)N)[N+](C)(C)C)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C14H30N2O2.H2O4S/c2*1-6-8-10-14(18,11-9-7-2)12(13(15)17)16(3,4)5;1-5(2,3)4/h2*12,18H,6-11H2,1-5H3,(H-,15,17);(H2,1,2,3,4)