ditert-butyl 1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-1-ium-1,2-dicarboxylate hydrochloride

Systemtic Name: ditert-butyl 1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-1-ium-1,2-dicarboxylate hydrochloride Openeye Name: ditert-butyl 1-(2,6-diaminohexanoyl)pyrrolidin-1-ium-1,2-dicarboxylate hydrochloride CAS Name: 1-(2,6-diamino-1-oxohexyl)pyrrolidin-1-ium-1,2-dicarboxylic acid ditert-butyl ester hydrochloride IUPAC Name: ditert-butyl 1-(2,6-diaminohexanoyl)pyrrolidin-1-ium-1,2-dicarboxylate hydrochloride Traditional Name: 1-(2,6-diaminohexanoyl)pyrrolidin-1-ium-1,2-dicarboxylic acid ditert-butyl ester hydrochloride Formula: C20H39ClN3O5+ MolecularWeight: 436.99376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC[N+]1(C(=O)C(CCCCN)N)C(=O)OC(C)(C)C.Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC[N+]1(C(=O)C(CCCCN)N)C(=O)OC(C)(C)C.Cl

InChI

InChI=1S/C20H38N3O5.ClH/c1-19(2,3)27-17(25)15-11-9-13-23(15,18(26)28-20(4,5)6)16(24)14(22)10-7-8-12-21;/h14-15H,7-13,21-22H2,1-6H3;1H/q+1;