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

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-(2-phenoxyethanoylamino)ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[(1-oxo-2-phenoxyethyl)amino]ethyl]-diethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]ethyl]-diethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]ethyl]-diethyl-ammonium Formula: C24H35N2O2+ MolecularWeight: 383.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)COC1=CC=CC=C1)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)COC1=CC=CC=C1)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H34N2O2/c1-6-26(7-2)22(19-13-15-20(16-14-19)24(3,4)5)17-25-23(27)18-28-21-11-9-8-10-12-21/h8-16,22H,6-7,17-18H2,1-5H3,(H,25,27)/p+1/t22-/m1/s1