tert-butyl-[3-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanoylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[1-oxo-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propyl]ammonium Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3

InChI

InChI=1S/C21H30N2O3/c1-21(2,3)23-12-6-11-22-20(24)14-25-15-9-10-19-17(13-15)16-7-4-5-8-18(16)26-19/h9-10,13,23H,4-8,11-12,14H2,1-3H3,(H,22,24)/p+1