2-(2-cyanoethanoylamino)ethyl-trimethyl-azanium sulfate

Systemtic Name: 2-(2-cyanoethanoylamino)ethyl-trimethyl-azanium sulfate Openeye Name: 2-[(2-cyanoacetyl)amino]ethyl-trimethyl-ammonium sulfate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]ethyl-trimethylammonium sulfate IUPAC Name: 2-[(2-cyanoacetyl)amino]ethyl-trimethylazanium sulfate Traditional Name: 2-[(2-cyanoacetyl)amino]ethyl-trimethyl-ammonium sulfate Formula: C16H32N6O6S MolecularWeight: 436.52688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H15N3O.H2O4S/c2*1-11(2,3)7-6-10-8(12)4-5-9;1-5(2,3)4/h2*4,6-7H2,1-3H3;(H2,1,2,3,4)