ethyl 4-[2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

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