ethyl 4-[2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O4/c1-2-30-22(29)26-15-13-25(14-16-26)20(27)17-19-21(28)23-10-12-24(19)11-6-9-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,23,28)/p+1/t19-/m1/s1