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

Systemtic Name: methyl-[3-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azaniumyl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(isopropylamino)-2-oxo-ethyl]ammonio]propyl]-methyl-ammonium CAS Name: methyl-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]ammonio]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]azaniumyl]propyl]azanium Traditional Name: benzyl-[3-[[2-(isopropylamino)-2-keto-ethyl]ammonio]propyl]-methyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-14(2)18-16(20)12-17-10-7-11-19(3)13-15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20)/p+2