[(1S)-1-(4-tert-butylphenyl)-2-[2-(3-methylphenoxy)ethanoylamino]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[2-(3-methylphenoxy)ethanoylamino]ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[2-(3-methylphenoxy)-1-oxoethyl]amino]ethyl]-diethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]-diethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]-diethyl-ammonium Formula: C25H37N2O2+ MolecularWeight: 397.57348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2/c1-7-27(8-2)23(20-12-14-21(15-13-20)25(4,5)6)17-26-24(28)18-29-22-11-9-10-19(3)16-22/h9-16,23H,7-8,17-18H2,1-6H3,(H,26,28)/p+1/t23-/m1/s1