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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-17(2,3)19-16(21)13-18-11-8-12-20(4)14-15-9-6-5-7-10-15/h5-7,9-10,18H,8,11-14H2,1-4H3,(H,19,21)/p+2