3-[[(2S)-2-azaniumylpropanoyl]amino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(2S)-2-azaniumylpropanoyl]amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-[[(2S)-2-azaniumylpropanoyl]amino]propyl-benzyl-methyl-ammonium CAS Name: 3-[[(2S)-2-ammonio-1-oxopropyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-[[(2S)-2-azaniumylpropanoyl]amino]propyl-benzyl-methylazanium Traditional Name: 3-[[(2S)-2-ammoniopropanoyl]amino]propyl-benzyl-methyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC[NH+](C)CC1=CC=CC=C1)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NCCC[NH+](C)CC1=CC=CC=C1)[NH3+]

InChI

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