bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate dibromide

Systemtic Name: bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate dibromide Openeye Name: bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenyltetralin-1,4-dicarboxylate dibromide CAS Name: 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylic acid bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester dibromide IUPAC Name: bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate dibromide Traditional Name: 1-phenyltetralin-1,4-dicarboxylic acid bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester dibromide Formula: C38H52Br2N2O4 MolecularWeight: 760.63848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)[N+]7(C)CC)C.[Br-].[Br-]

Isomeric SMILES

CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)[N+]7(C)CC)C.[Br-].[Br-]

InChI

InChI=1S/C38H52N2O4.2BrH/c1-5-39(3)27-16-17-28(39)23-31(22-27)43-36(41)34-20-21-38(26-12-8-7-9-13-26,35-15-11-10-14-33(34)35)37(42)44-32-24-29-18-19-30(25-32)40(29,4)6-2;;/h7-15,27-32,34H,5-6,16-25H2,1-4H3;2*1H/q+2;;/p-2