bis(2-cyanoethyl)-[(4S)-4-(2-cyanoethylamino)-5-oxidanyl-5-oxidanylidene-pentyl]azanium chloride

Systemtic Name: bis(2-cyanoethyl)-[(4S)-4-(2-cyanoethylamino)-5-oxidanyl-5-oxidanylidene-pentyl]azanium chloride Openeye Name: bis(2-cyanoethyl)-[(4S)-4-(2-cyanoethylamino)-5-hydroxy-5-oxo-pentyl]ammonium chloride CAS Name: bis(2-cyanoethyl)-[(4S)-4-(2-cyanoethylamino)-5-hydroxy-5-oxopentyl]ammonium chloride IUPAC Name: bis(2-cyanoethyl)-[(4S)-4-(2-cyanoethylamino)-5-hydroxy-5-oxopentyl]azanium chloride Traditional Name: bis(2-cyanoethyl)-[(4S)-4-(2-cyanoethylamino)-5-hydroxy-5-keto-pentyl]ammonium chloride Formula: C14H22ClN5O2 MolecularWeight: 327.80978

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)NCCC#N)C[NH+](CCC#N)CCC#N.[Cl-]

Isomeric SMILES

C(C[C@@H](C(=O)O)NCCC#N)C[NH+](CCC#N)CCC#N.[Cl-]

InChI

InChI=1S/C14H21N5O2.ClH/c15-6-2-9-18-13(14(20)21)5-1-10-19(11-3-7-16)12-4-8-17;/h13,18H,1-5,9-12H2,(H,20,21);1H/t13-;/m0./s1