3-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-2-ammonio-1-oxo-3-phenylpropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2S)-2-ammonio-3-phenyl-propanoyl]amino]propyl-dimethyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O/c1-17(2)10-6-9-16-14(18)13(15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11,15H2,1-2H3,(H,16,18)/p+2/t13-/m0/s1