O3-tert-butyl O1-(phenylmethyl) (3R)-piperazin-4-ium-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-(phenylmethyl) (3R)-piperazin-4-ium-1,3-dicarboxylate Openeye Name: O1-benzyl O3-tert-butyl (3R)-piperazin-4-ium-1,3-dicarboxylate CAS Name: (3R)-piperazin-4-ium-1,3-dicarboxylic acid O3-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-tert-butyl (3R)-piperazin-4-ium-1,3-dicarboxylate Traditional Name: (3R)-piperazin-4-ium-1,3-dicarboxylic acid O1-benzyl ester O3-tert-butyl ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CC[NH2+]1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CN(CC[NH2+]1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-15(20)14-11-19(10-9-18-14)16(21)22-12-13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3/p+1/t14-/m1/s1