2-(4-azanylbutanoylamino)ethyl-trimethyl-azanium sulfate

Systemtic Name: 2-(4-azanylbutanoylamino)ethyl-trimethyl-azanium sulfate Openeye Name: 2-(4-aminobutanoylamino)ethyl-trimethyl-ammonium sulfate CAS Name: 2-[(4-amino-1-oxobutyl)amino]ethyl-trimethylammonium sulfate IUPAC Name: 2-(4-aminobutanoylamino)ethyl-trimethylazanium sulfate Traditional Name: 2-(4-aminobutanoylamino)ethyl-trimethyl-ammonium sulfate Formula: C18H44N6O6S MolecularWeight: 472.64356

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCNC(=O)CCCN.C[N+](C)(C)CCNC(=O)CCCN.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCNC(=O)CCCN.C[N+](C)(C)CCNC(=O)CCCN.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H21N3O.H2O4S/c2*1-12(2,3)8-7-11-9(13)5-4-6-10;1-5(2,3)4/h2*4-8,10H2,1-3H3;(H2,1,2,3,4)