2-[[(3S)-3-azaniumyl-3-phenyl-propanoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(3S)-3-azaniumyl-3-phenyl-propanoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(3S)-3-azaniumyl-3-phenyl-propanoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(3S)-3-ammonio-1-oxo-3-phenylpropyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(3S)-3-azaniumyl-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(3S)-3-ammonio-3-phenyl-propanoyl]amino]ethyl-diisopropyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-13(2)20(14(3)4)11-10-19-17(21)12-16(18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,18H2,1-4H3,(H,19,21)/p+2/t16-/m0/s1