dimethyl 4-(2-methylpropyl)-5-(phenylcarbonyl)-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylate

Systemtic Name: dimethyl 4-(2-methylpropyl)-5-(phenylcarbonyl)-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylate Openeye Name: dimethyl 5-benzoyl-4-isobutyl-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylate CAS Name: 5-benzoyl-4-(2-methylpropyl)-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-benzoyl-4-(2-methylpropyl)-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylate Traditional Name: 5-benzoyl-4-isobutyl-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylic acid dimethyl ester Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]12CCC(C1=CC=C2C(=O)C3=CC=CC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)C[N+]12CCC(C1=CC=C2C(=O)C3=CC=CC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H26NO5/c1-15(2)14-23-13-12-22(20(25)27-3,21(26)28-4)18(23)11-10-17(23)19(24)16-8-6-5-7-9-16/h5-11,15H,12-14H2,1-4H3/q+1