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

Systemtic Name: 3-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(cyclopropylamino)-2-oxo-ethyl]ammonio]propyl]-methyl-ammonium CAS Name: 3-[[2-(cyclopropylamino)-2-oxoethyl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(cyclopropylamino)-2-oxoethyl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(cyclopropylamino)-2-keto-ethyl]ammonio]propyl]-methyl-ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC[NH2+]CC(=O)NC1CC1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCC[NH2+]CC(=O)NC1CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H25N3O/c1-19(13-14-6-3-2-4-7-14)11-5-10-17-12-16(20)18-15-8-9-15/h2-4,6-7,15,17H,5,8-13H2,1H3,(H,18,20)/p+2