[(1S)-1-(4-tert-butylphenyl)-2-(2-phenoxyethanoylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-(2-phenoxyethanoylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[(1-oxo-2-phenoxyethyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]ethyl]-dimethyl-ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](CNC(=O)COC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C22H30N2O2/c1-22(2,3)18-13-11-17(12-14-18)20(24(4)5)15-23-21(25)16-26-19-9-7-6-8-10-19/h6-14,20H,15-16H2,1-5H3,(H,23,25)/p+1/t20-/m1/s1