1-[4,4-bis(2-oxidanyl-3-propan-2-yloxy-propyl)-1,4,7-triazonan-4-ium-1-yl]-3-propan-2-yloxy-propan-2-ol

Systemtic Name: 1-[4,4-bis(2-oxidanyl-3-propan-2-yloxy-propyl)-1,4,7-triazonan-4-ium-1-yl]-3-propan-2-yloxy-propan-2-ol Openeye Name: 1-[4,4-bis(2-hydroxy-3-isopropoxy-propyl)-1,4,7-triazonan-4-ium-1-yl]-3-isopropoxy-propan-2-ol CAS Name: 1-[4,4-bis(2-hydroxy-3-propan-2-yloxypropyl)-1,4,7-triazonan-4-ium-1-yl]-3-propan-2-yloxy-2-propanol IUPAC Name: 1-[4,4-bis(2-hydroxy-3-propan-2-yloxypropyl)-1,4,7-triazonan-4-ium-1-yl]-3-propan-2-yloxypropan-2-ol Traditional Name: 1-[4,4-bis(2-hydroxy-3-isopropoxy-propyl)-1,4,7-triazonan-4-ium-1-yl]-3-isopropoxy-propan-2-ol Formula: C24H52N3O6+ MolecularWeight: 478.68618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1CCNCC[N+](CC1)(CC(COC(C)C)O)CC(COC(C)C)O)O

Isomeric SMILES

CC(C)OCC(CN1CCNCC[N+](CC1)(CC(COC(C)C)O)CC(COC(C)C)O)O

InChI

InChI=1S/C24H52N3O6/c1-19(2)31-16-22(28)13-26-9-7-25-8-11-27(12-10-26,14-23(29)17-32-20(3)4)15-24(30)18-33-21(5)6/h19-25,28-30H,7-18H2,1-6H3/q+1