[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-(3-isopropoxypropyl)ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-(3-isopropoxypropyl)ammonium Formula: C20H26Br2NO2+ MolecularWeight: 472.23394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25Br2NO2/c1-15(2)24-10-6-9-23-13-17-11-18(21)20(19(22)12-17)25-14-16-7-4-3-5-8-16/h3-5,7-8,11-12,15,23H,6,9-10,13-14H2,1-2H3/p+1