3-[2,6-bis(chloranyl)phenoxy]propyl-tert-butyl-azanium

Systemtic Name: 3-[2,6-bis(chloranyl)phenoxy]propyl-tert-butyl-azanium Openeye Name: tert-butyl-[3-(2,6-dichlorophenoxy)propyl]ammonium CAS Name: tert-butyl-[3-(2,6-dichlorophenoxy)propyl]ammonium IUPAC Name: tert-butyl-[3-(2,6-dichlorophenoxy)propyl]azanium Traditional Name: tert-butyl-[3-(2,6-dichlorophenoxy)propyl]ammonium Formula: C13H20Cl2NO+ MolecularWeight: 277.21

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCOC1=C(C=CC=C1Cl)Cl

Isomeric SMILES

CC(C)(C)[NH2+]CCCOC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C13H19Cl2NO/c1-13(2,3)16-8-5-9-17-12-10(14)6-4-7-11(12)15/h4,6-7,16H,5,8-9H2,1-3H3/p+1