1-oxidanidyl-1,3-bis(phenylmethyl)-5-propoxycarbonyl-imidazolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-oxidanidyl-1,3-bis(phenylmethyl)-5-propoxycarbonyl-imidazolidin-1-ium-2-carboxylic acid Openeye Name: 1,3-dibenzyl-1-oxido-5-propoxycarbonyl-imidazolidin-1-ium-2-carboxylic acid CAS Name: 1-oxido-5-[oxo(propoxy)methyl]-1,3-bis(phenylmethyl)-2-imidazolidin-1-iumcarboxylic acid IUPAC Name: 1,3-dibenzyl-1-oxido-5-propoxycarbonylimidazolidin-1-ium-2-carboxylic acid Traditional Name: 1,3-dibenzyl-1-oxido-5-propoxycarbonyl-imidazolidin-1-ium-2-carboxylic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1CN(C([N+]1(CC2=CC=CC=C2)[O-])C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1CN(C([N+]1(CC2=CC=CC=C2)[O-])C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5/c1-2-13-29-22(27)19-15-23(14-17-9-5-3-6-10-17)20(21(25)26)24(19,28)16-18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,25,26)