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

Systemtic Name: O3-methyl O1-(phenylmethyl) (3S)-piperazin-4-ium-1,3-dicarboxylate Openeye Name: O1-benzyl O3-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate CAS Name: (3S)-piperazin-4-ium-1,3-dicarboxylic acid O3-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate Traditional Name: (3S)-piperazin-4-ium-1,3-dicarboxylic acid O1-benzyl ester O3-methyl ester Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/p+1/t12-/m0/s1