decanedioic acid; 8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octane; dibromide

Systemtic Name: decanedioic acid; 8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octane; dibromide Openeye Name: 8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octane; decanedioic acid; dibromide CAS Name: decanedioic acid; 8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octane; dibromide IUPAC Name: 8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octane; decanedioic acid; dibromide Traditional Name: 8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octane; sebacic acid; dibromide Formula: C40H62Br2N2O4 MolecularWeight: 794.73928

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1CC2)CC3=CC=CC=C3.C[N+]1(C2CCCC1CC2)CC3=CC=CC=C3.C(CCCCC(=O)O)CCCC(=O)O.[Br-].[Br-]

Isomeric SMILES

C[N+]1(C2CCCC1CC2)CC3=CC=CC=C3.C[N+]1(C2CCCC1CC2)CC3=CC=CC=C3.C(CCCCC(=O)O)CCCC(=O)O.[Br-].[Br-]

InChI

InChI=1S/2C15H22N.C10H18O4.2BrH/c2*1-16(12-13-6-3-2-4-7-13)14-8-5-9-15(16)11-10-14;11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h2*2-4,6-7,14-15H,5,8-12H2,1H3;1-8H2,(H,11,12)(H,13,14);2*1H/q2*+1;;;/p-2