3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]azaniumyl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]ammonio]propyl-benzyl-methyl-ammonium CAS Name: 3-[[(2S)-1-amino-1-oxopropan-2-yl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-[[(2S)-1-amino-1-oxopropan-2-yl]azaniumyl]propyl-benzyl-methylazanium Traditional Name: 3-[[(1S)-2-amino-2-keto-1-methyl-ethyl]ammonio]propyl-benzyl-methyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CCC[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C14H23N3O/c1-12(14(15)18)16-9-6-10-17(2)11-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3,(H2,15,18)/p+2/t12-/m0/s1