[3-[[(1S)-1-(3-acetamidophenyl)ethyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[(1S)-1-(3-acetamidophenyl)ethyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[(1S)-1-(3-acetamidophenyl)ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(1S)-1-(3-acetamidophenyl)ethyl]ammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[(1S)-1-(3-acetamidophenyl)ethyl]azaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[(1S)-1-(3-acetamidophenyl)ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C)[NH2+]CC(C)(C)C[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)NC(=O)C)[NH2+]CC(C)(C)C[NH+](C)C

InChI

InChI=1S/C17H29N3O/c1-13(18-11-17(3,4)12-20(5)6)15-8-7-9-16(10-15)19-14(2)21/h7-10,13,18H,11-12H2,1-6H3,(H,19,21)/p+2/t13-/m0/s1