3-(2-bromanyl-6-tert-butyl-4-methyl-phenoxy)propyl-methyl-azanium

Systemtic Name: 3-(2-bromanyl-6-tert-butyl-4-methyl-phenoxy)propyl-methyl-azanium Openeye Name: 3-(2-bromo-6-tert-butyl-4-methyl-phenoxy)propyl-methyl-ammonium CAS Name: 3-(2-bromo-6-tert-butyl-4-methylphenoxy)propyl-methylammonium IUPAC Name: 3-(2-bromo-6-tert-butyl-4-methylphenoxy)propyl-methylazanium Traditional Name: 3-(2-bromo-6-tert-butyl-4-methyl-phenoxy)propyl-methyl-ammonium Formula: C15H25BrNO+ MolecularWeight: 315.2691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCC[NH2+]C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCC[NH2+]C)C(C)(C)C

InChI

InChI=1S/C15H24BrNO/c1-11-9-12(15(2,3)4)14(13(16)10-11)18-8-6-7-17-5/h9-10,17H,6-8H2,1-5H3/p+1