5-methoxy-1-oxidanidyl-1,3-bis(phenylmethyl)imidazolidin-1-ium-2,2-dicarboxylic acid

Systemtic Name: 5-methoxy-1-oxidanidyl-1,3-bis(phenylmethyl)imidazolidin-1-ium-2,2-dicarboxylic acid Openeye Name: 1,3-dibenzyl-5-methoxy-1-oxido-imidazolidin-1-ium-2,2-dicarboxylic acid CAS Name: 5-methoxy-1-oxido-1,3-bis(phenylmethyl)imidazolidin-1-ium-2,2-dicarboxylic acid IUPAC Name: 1,3-dibenzyl-5-methoxy-1-oxidoimidazolidin-1-ium-2,2-dicarboxylic acid Traditional Name: 1,3-dibenzyl-5-methoxy-1-oxido-imidazolidin-1-ium-2,2-dicarboxylic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(C([N+]1(CC2=CC=CC=C2)[O-])(C(=O)O)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1CN(C([N+]1(CC2=CC=CC=C2)[O-])(C(=O)O)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6/c1-28-17-13-21(12-15-8-4-2-5-9-15)20(18(23)24,19(25)26)22(17,27)14-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,23,24)(H,25,26)