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

Systemtic Name: [3-[[(3S)-3-azaniumyl-3-phenyl-propanoyl]amino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[(3S)-3-azaniumyl-3-phenyl-propanoyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(3S)-3-ammonio-1-oxo-3-phenylpropyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[(3S)-3-azaniumyl-3-phenylpropanoyl]amino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[(3S)-3-ammonio-3-phenyl-propanoyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-16(2,12-19(3)4)11-18-15(20)10-14(17)13-8-6-5-7-9-13/h5-9,14H,10-12,17H2,1-4H3,(H,18,20)/p+2/t14-/m0/s1