6-[1-bromanyl-4-(methylamino)cyclohexa-2,4-dien-1-yl]oxyhexyl-ethyl-(2-methylbutan-2-yl)-propan-2-yl-azanium

Systemtic Name: 6-[1-bromanyl-4-(methylamino)cyclohexa-2,4-dien-1-yl]oxyhexyl-ethyl-(2-methylbutan-2-yl)-propan-2-yl-azanium Openeye Name: 6-[1-bromo-4-(methylamino)cyclohexa-2,4-dien-1-yl]oxyhexyl-(1,1-dimethylpropyl)-ethyl-isopropyl-ammonium CAS Name: 6-[[1-bromo-4-(methylamino)-1-cyclohexa-2,4-dienyl]oxy]hexyl-ethyl-(2-methylbutan-2-yl)-propan-2-ylammonium IUPAC Name: 6-[1-bromo-4-(methylamino)cyclohexa-2,4-dien-1-yl]oxyhexyl-ethyl-(2-methylbutan-2-yl)-propan-2-ylazanium Traditional Name: tert-amyl-[6-[1-bromo-4-(methylamino)cyclohexa-2,4-dien-1-yl]oxyhexyl]-ethyl-isopropyl-ammonium Formula: C23H44BrN2O+ MolecularWeight: 444.51226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[N+](CC)(CCCCCCOC1(CC=C(C=C1)NC)Br)C(C)C

Isomeric SMILES

CCC(C)(C)[N+](CC)(CCCCCCOC1(CC=C(C=C1)NC)Br)C(C)C

InChI

InChI=1S/C23H44BrN2O/c1-8-22(5,6)26(9-2,20(3)4)18-12-10-11-13-19-27-23(24)16-14-21(25-7)15-17-23/h14-16,20,25H,8-13,17-19H2,1-7H3/q+1