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

Systemtic Name: ethyl 4-[2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O4/c1-2-28-20(27)23-12-10-22(11-13-23)18(25)14-17-19(26)21-8-9-24(17)15-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,21,26)/p+1/t17-/m1/s1