bis(phenylmethyl) 1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-1-ium-1,2-dicarboxylate

Systemtic Name: bis(phenylmethyl) 1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-1-ium-1,2-dicarboxylate Openeye Name: dibenzyl 1-(2,6-diaminohexanoyl)pyrrolidin-1-ium-1,2-dicarboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)pyrrolidin-1-ium-1,2-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 1-(2,6-diaminohexanoyl)pyrrolidin-1-ium-1,2-dicarboxylate Traditional Name: 1-(2,6-diaminohexanoyl)pyrrolidin-1-ium-1,2-dicarboxylic acid dibenzyl ester Formula: C26H34N3O5+ MolecularWeight: 468.56526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC([N+](C1)(C(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H34N3O5/c27-16-8-7-14-22(28)24(30)29(26(32)34-19-21-12-5-2-6-13-21)17-9-15-23(29)25(31)33-18-20-10-3-1-4-11-20/h1-6,10-13,22-23H,7-9,14-19,27-28H2/q+1