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

Systemtic Name: O1-tert-butyl O3-(phenylmethyl) (3S)-piperazin-4-ium-1,3-dicarboxylate Openeye Name: O3-benzyl O1-tert-butyl (3S)-piperazin-4-ium-1,3-dicarboxylate CAS Name: (3S)-piperazin-4-ium-1,3-dicarboxylic acid O1-tert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-tert-butyl (3S)-piperazin-4-ium-1,3-dicarboxylate Traditional Name: (3S)-piperazin-4-ium-1,3-dicarboxylic acid O3-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)N1CC[NH2+]C(C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+][C@@H](C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-9-18-14(11-19)15(20)22-12-13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3/p+1/t14-/m0/s1