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

Systemtic Name: dimethyl 4-butyl-5-(phenylcarbonyl)-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylate Openeye Name: dimethyl 5-benzoyl-4-butyl-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylate CAS Name: 5-benzoyl-4-butyl-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-benzoyl-4-butyl-2,3-dihydropyrrolizin-4-ium-1,1-dicarboxylate Traditional Name: 5-benzoyl-4-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO5/c1-4-5-14-23-15-13-22(20(25)27-2,21(26)28-3)18(23)12-11-17(23)19(24)16-9-7-6-8-10-16/h6-12H,4-5,13-15H2,1-3H3/q+1