3-[[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(2-cyanoethylamino)-2-oxo-ethyl]ammonio]propyl]-methyl-ammonium CAS Name: 3-[[2-(2-cyanoethylamino)-2-oxoethyl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(2-cyanoethylamino)-2-oxoethyl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(2-cyanoethylamino)-2-keto-ethyl]ammonio]propyl]-methyl-ammonium Formula: C16H26N4O+2 MolecularWeight: 290.40384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC[NH2+]CC(=O)NCCC#N)CC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCC[NH2+]CC(=O)NCCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C16H24N4O/c1-20(14-15-7-3-2-4-8-15)12-6-10-18-13-16(21)19-11-5-9-17/h2-4,7-8,18H,5-6,10-14H2,1H3,(H,19,21)/p+2