[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [3,5-bis(bromanyl)-2-oxidanyl-phenyl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3,5-dibromo-2-hydroxy-phenyl)methyl]-ethyl-ammonium CAS Name: (3,5-dibromo-2-hydroxyphenyl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3,5-dibromo-2-hydroxyphenyl)methyl]-ethylazanium Traditional Name: benzyl-(3,5-dibromo-2-hydroxy-benzyl)-ethyl-ammonium Formula: C16H18Br2NO+ MolecularWeight: 400.12822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC(=CC(=C2O)Br)Br

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC(=CC(=C2O)Br)Br

InChI

InChI=1S/C16H17Br2NO/c1-2-19(10-12-6-4-3-5-7-12)11-13-8-14(17)9-15(18)16(13)20/h3-9,20H,2,10-11H2,1H3/p+1