diethyl 5-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[N+]23CCN(CC2)CC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[N+]23CCN(CC2)CC3

InChI

InChI=1S/C18H27N3O4/c1-4-24-17(22)15-13(3)16(18(23)25-5-2)19-14(15)12-21-9-6-20(7-10-21)8-11-21/h4-12H2,1-3H3/p+1