ethyl 4-[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H30N4O4/c1-2-30-22(29)25-11-9-24(10-12-25)20(27)15-19-21(28)23-7-8-26(19)18-13-16-5-3-4-6-17(16)14-18/h3-6,18-19H,2,7-15H2,1H3,(H,23,28)/p+1/t19-/m1/s1