1-butyl-3-oxidanylidene-1-phenylmethoxycarbonyl-imidazolidine-1,3-diium-4-carboxylate

Systemtic Name: 1-butyl-3-oxidanylidene-1-phenylmethoxycarbonyl-imidazolidine-1,3-diium-4-carboxylate Openeye Name: 1-benzyloxycarbonyl-1-butyl-3-oxo-imidazolidine-1,3-diium-4-carboxylate CAS Name: 1-butyl-3-oxo-1-phenylmethoxycarbonyl-4-imidazolidine-1,3-diiumcarboxylate IUPAC Name: 1-butyl-3-oxo-1-phenylmethoxycarbonylimidazolidine-1,3-diium-4-carboxylate Traditional Name: 1-butyl-1-carbobenzoxy-3-keto-imidazolidine-1,3-diium-4-carboxylate Formula: C16H21N2O5+ MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC([N+](=O)C1)C(=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC[N+]1(CC([N+](=O)C1)C(=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21N2O5/c1-2-3-9-18(10-14(15(19)20)17(22)12-18)16(21)23-11-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3/q+1