diethyl (2R,3R)-1,4-bis(phenylmethyl)piperazin-1-ium-2,3-dicarboxylate

Systemtic Name: diethyl (2R,3R)-1,4-bis(phenylmethyl)piperazin-1-ium-2,3-dicarboxylate Openeye Name: diethyl (2R,3R)-1,4-dibenzylpiperazin-1-ium-2,3-dicarboxylate CAS Name: (2R,3R)-1,4-bis(phenylmethyl)piperazin-1-ium-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (2R,3R)-1,4-dibenzylpiperazin-1-ium-2,3-dicarboxylate Traditional Name: (2R,3R)-1,4-dibenzylpiperazin-1-ium-2,3-dicarboxylic acid diethyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](N(CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H30N2O4/c1-3-29-23(27)21-22(24(28)30-4-2)26(18-20-13-9-6-10-14-20)16-15-25(21)17-19-11-7-5-8-12-19/h5-14,21-22H,3-4,15-18H2,1-2H3/p+1/t21-,22-/m1/s1