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

Systemtic Name: 3-[[2-(diethylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(diethylamino)-2-oxo-ethyl]ammonio]propyl]-methyl-ammonium CAS Name: 3-[[2-(diethylamino)-2-oxoethyl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(diethylamino)-2-oxoethyl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(diethylamino)-2-keto-ethyl]ammonio]propyl]-methyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH2+]CCC[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CCN(CC)C(=O)C[NH2+]CCC[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C17H29N3O/c1-4-20(5-2)17(21)14-18-12-9-13-19(3)15-16-10-7-6-8-11-16/h6-8,10-11,18H,4-5,9,12-15H2,1-3H3/p+2