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

Systemtic Name: 3-[[2-(cyanomethylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(cyanomethylamino)-2-oxo-ethyl]ammonio]propyl]-methyl-ammonium CAS Name: 3-[[2-(cyanomethylamino)-2-oxoethyl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(cyanomethylamino)-2-oxoethyl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(cyanomethylamino)-2-keto-ethyl]ammonio]propyl]-methyl-ammonium Formula: C15H24N4O+2 MolecularWeight: 276.37726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O/c1-19(13-14-6-3-2-4-7-14)11-5-9-17-12-15(20)18-10-8-16/h2-4,6-7,17H,5,9-13H2,1H3,(H,18,20)/p+2