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

Systemtic Name: tert-butyl-[3-[2-[2-(phenylmethyl)phenoxy]ethanoylamino]propyl]azanium Openeye Name: 3-[[2-(2-benzylphenoxy)acetyl]amino]propyl-tert-butyl-ammonium CAS Name: tert-butyl-[3-[[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]amino]propyl]ammonium IUPAC Name: 3-[[2-(2-benzylphenoxy)acetyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[2-(2-benzylphenoxy)acetyl]amino]propyl-tert-butyl-ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O2/c1-22(2,3)24-15-9-14-23-21(25)17-26-20-13-8-7-12-19(20)16-18-10-5-4-6-11-18/h4-8,10-13,24H,9,14-17H2,1-3H3,(H,23,25)/p+1