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

Systemtic Name: ethyl 4-[2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C18H26N4O4S/c1-2-26-18(25)21-9-7-20(8-10-21)16(23)12-15-17(24)19-5-6-22(15)13-14-4-3-11-27-14/h3-4,11,15H,2,5-10,12-13H2,1H3,(H,19,24)/p+1/t15-/m1/s1