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

Systemtic Name: 2-[[(3S)-3-azaniumyl-3-phenyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-3-azaniumyl-3-phenyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-3-ammonio-1-oxo-3-phenylpropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-3-azaniumyl-3-phenylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-3-ammonio-3-phenyl-propanoyl]amino]ethyl-dimethyl-ammonium Formula: C13H23N3O+2 MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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