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

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[2-(4-ethylphenoxy)ethanoylamino]ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[2-(4-ethylphenoxy)-1-oxoethyl]amino]ethyl]-diethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]ethyl]-diethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]ethyl]-diethyl-ammonium Formula: C26H39N2O2+ MolecularWeight: 411.60006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=C(C=C2)C(C)(C)C)[NH+](CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC[C@H](C2=CC=C(C=C2)C(C)(C)C)[NH+](CC)CC

InChI

InChI=1S/C26H38N2O2/c1-7-20-10-16-23(17-11-20)30-19-25(29)27-18-24(28(8-2)9-3)21-12-14-22(15-13-21)26(4,5)6/h10-17,24H,7-9,18-19H2,1-6H3,(H,27,29)/p+1/t24-/m1/s1