[(4S)-4-[[2-(cyanomethylamino)-2-oxidanylidene-ethyl]azaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[2-(cyanomethylamino)-2-oxidanylidene-ethyl]azaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[2-(cyanomethylamino)-2-oxo-ethyl]ammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[2-(cyanomethylamino)-2-oxoethyl]ammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[2-(cyanomethylamino)-2-oxoethyl]azaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[2-(cyanomethylamino)-2-keto-ethyl]ammonio]pentyl]-diethyl-ammonium Formula: C13H28N4O+2 MolecularWeight: 256.38762

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC(=O)NCC#N

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)NCC#N

InChI

InChI=1S/C13H26N4O/c1-4-17(5-2)10-6-7-12(3)16-11-13(18)15-9-8-14/h12,16H,4-7,9-11H2,1-3H3,(H,15,18)/p+2/t12-/m0/s1