bis[9-methyl-9-(phenylmethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl] cyclobutane-1,2-dicarboxylate

Systemtic Name: bis[9-methyl-9-(phenylmethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl] cyclobutane-1,2-dicarboxylate Openeye Name: bis(9-benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) cyclobutane-1,2-dicarboxylate CAS Name: cyclobutane-1,2-dicarboxylic acid bis[9-methyl-9-(phenylmethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl] ester IUPAC Name: bis(9-benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) cyclobutane-1,2-dicarboxylate Traditional Name: cyclobutane-1,2-dicarboxylic acid bis(9-benzyl-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester Formula: C38H52N2O4+2 MolecularWeight: 600.83048

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1CC(C2)OC(=O)C3CCC3C(=O)OC4CC5CCCC(C4)[N+]5(C)CC6=CC=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

C[N+]1(C2CCCC1CC(C2)OC(=O)C3CCC3C(=O)OC4CC5CCCC(C4)[N+]5(C)CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C38H52N2O4/c1-39(25-27-11-5-3-6-12-27)29-15-9-16-30(39)22-33(21-29)43-37(41)35-19-20-36(35)38(42)44-34-23-31-17-10-18-32(24-34)40(31,2)26-28-13-7-4-8-14-28/h3-8,11-14,29-36H,9-10,15-26H2,1-2H3/q+2