[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-hexyl-azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-hexyl-azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-hexyl-ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-hexylammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-hexylazanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-hexyl-ammonium Formula: C20H26Br2NO+ MolecularWeight: 456.23454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C20H25Br2NO/c1-2-3-4-8-11-23-14-17-12-18(21)20(19(22)13-17)24-15-16-9-6-5-7-10-16/h5-7,9-10,12-13,23H,2-4,8,11,14-15H2,1H3/p+1