(phenylmethyl) (2S)-2-ethylpiperazin-4-ium-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-ethylpiperazin-4-ium-1-carboxylate Openeye Name: benzyl (2S)-2-ethylpiperazin-4-ium-1-carboxylate CAS Name: (2S)-2-ethyl-1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-ethylpiperazin-4-ium-1-carboxylate Traditional Name: (2S)-2-ethylpiperazin-4-ium-1-carboxylic acid benzyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH2+]CCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H]1C[NH2+]CCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c1-2-13-10-15-8-9-16(13)14(17)18-11-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3/p+1/t13-/m0/s1