O1'-tert-butyl O1-(phenylmethyl) piperazin-1-ium-1,1-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H25N2O4/c1-17(2,3)23-16(21)19(11-9-18-10-12-19)15(20)22-13-14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3/q+1