1,3-bis(8-aza-5-azoniaspiro[4.5]decan-8-yl)propan-2-yl benzoate dibromide

Systemtic Name: 1,3-bis(8-aza-5-azoniaspiro[4.5]decan-8-yl)propan-2-yl benzoate dibromide Openeye Name: [2-(8-aza-5-azoniaspiro[4.5]decan-8-yl)-1-(8-aza-5-azoniaspiro[4.5]decan-8-ylmethyl)ethyl] benzoate dibromide CAS Name: benzoic acid 1,3-bis(8-aza-5-azoniaspiro[4.5]decan-8-yl)propan-2-yl ester dibromide IUPAC Name: 1,3-bis(8-aza-5-azoniaspiro[4.5]decan-8-yl)propan-2-yl benzoate dibromide Traditional Name: benzoic acid [2-(8-aza-5-azoniaspiro[4.5]decan-8-yl)-1-(8-aza-5-azoniaspiro[4.5]decan-8-ylmethyl)ethyl] ester dibromide Formula: C26H42Br2N4O2 MolecularWeight: 602.44528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(C1)CCN(CC2)CC(CN3CC[N+]4(CCCC4)CC3)OC(=O)C5=CC=CC=C5.[Br-].[Br-]

Isomeric SMILES

C1CC[N+]2(C1)CCN(CC2)CC(CN3CC[N+]4(CCCC4)CC3)OC(=O)C5=CC=CC=C5.[Br-].[Br-]

InChI

InChI=1S/C26H42N4O2.2BrH/c31-26(24-8-2-1-3-9-24)32-25(22-27-10-18-29(19-11-27)14-4-5-15-29)23-28-12-20-30(21-13-28)16-6-7-17-30;;/h1-3,8-9,25H,4-7,10-23H2;2*1H/q+2;;/p-2