4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium hydrobromide

Systemtic Name: 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium hydrobromide Openeye Name: 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-(6,6-dimethylnorpinan-2-yl)ethoxy]ethyl]morpholin-4-ium hydrobromide CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium hydrobromide IUPAC Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium hydrobromide Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)-4-[2-[2-(6,6-dimethylnorpinan-2-yl)ethoxy]ethyl]morpholin-4-ium hydrobromide Formula: C26H42Br2NO4+ MolecularWeight: 592.42398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.Br

Isomeric SMILES

CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.Br

InChI

InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;