2-(4-bromanyl-2,3,6-trimethyl-phenoxy)ethyl-ethyl-azanium

Systemtic Name: 2-(4-bromanyl-2,3,6-trimethyl-phenoxy)ethyl-ethyl-azanium Openeye Name: 2-(4-bromo-2,3,6-trimethyl-phenoxy)ethyl-ethyl-ammonium CAS Name: 2-(4-bromo-2,3,6-trimethylphenoxy)ethyl-ethylammonium IUPAC Name: 2-(4-bromo-2,3,6-trimethylphenoxy)ethyl-ethylazanium Traditional Name: 2-(4-bromo-2,3,6-trimethyl-phenoxy)ethyl-ethyl-ammonium Formula: C13H21BrNO+ MolecularWeight: 287.21594

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CCOC1=C(C(=C(C=C1C)Br)C)C

Isomeric SMILES

CC[NH2+]CCOC1=C(C(=C(C=C1C)Br)C)C

InChI

InChI=1S/C13H20BrNO/c1-5-15-6-7-16-13-9(2)8-12(14)10(3)11(13)4/h8,15H,5-7H2,1-4H3/p+1