tert-butyl-[3-(4-phenylmethoxyphenoxy)propyl]azanium

Systemtic Name: tert-butyl-[3-(4-phenylmethoxyphenoxy)propyl]azanium Openeye Name: 3-(4-benzyloxyphenoxy)propyl-tert-butyl-ammonium CAS Name: tert-butyl-[3-(4-phenylmethoxyphenoxy)propyl]ammonium IUPAC Name: tert-butyl-[3-(4-phenylmethoxyphenoxy)propyl]azanium Traditional Name: 3-(4-benzoxyphenoxy)propyl-tert-butyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCOC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[NH2+]CCCOC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO2/c1-20(2,3)21-14-7-15-22-18-10-12-19(13-11-18)23-16-17-8-5-4-6-9-17/h4-6,8-13,21H,7,14-16H2,1-3H3/p+1