tert-butyl-[3-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]propyl]azanium Openeye Name: 3-[[2-(4-benzoylphenoxy)acetyl]amino]propyl-tert-butyl-ammonium CAS Name: 3-[[2-(4-benzoylphenoxy)-1-oxoethyl]amino]propyl-tert-butylammonium IUPAC Name: 3-[[2-(4-benzoylphenoxy)acetyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[2-(4-benzoylphenoxy)acetyl]amino]propyl-tert-butyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-22(2,3)24-15-7-14-23-20(25)16-27-19-12-10-18(11-13-19)21(26)17-8-5-4-6-9-17/h4-6,8-13,24H,7,14-16H2,1-3H3,(H,23,25)/p+1