(2R)-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]pyrrolidine-2-carboxylate Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H23N3O3/c21-16(20-8-4-7-15(20)17(22)23)13-18-9-11-19(12-10-18)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,22,23)/t15-/m1/s1