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

Systemtic Name: 3-[[(2S)-2-azaniumyl-2-phenyl-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-2-azaniumyl-2-phenyl-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-2-ammonio-1-oxo-2-phenylethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-2-azaniumyl-2-phenylacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2S)-2-ammonio-2-phenyl-acetyl]amino]propyl-dimethyl-ammonium Formula: C13H23N3O+2 MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O/c1-16(2)10-6-9-15-13(17)12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10,14H2,1-2H3,(H,15,17)/p+2/t12-/m0/s1