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

Systemtic Name: methyl-[3-[[2-(methylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[2-(methylamino)-2-oxo-ethyl]ammonio]propyl]ammonium CAS Name: methyl-[3-[[2-(methylamino)-2-oxoethyl]ammonio]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[2-(methylamino)-2-oxoethyl]azaniumyl]propyl]azanium Traditional Name: benzyl-[3-[[2-keto-2-(methylamino)ethyl]ammonio]propyl]-methyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O/c1-15-14(18)11-16-9-6-10-17(2)12-13-7-4-3-5-8-13/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,15,18)/p+2