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

Systemtic Name: ethyl 4-[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2R)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2R)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H33N4O4+ MolecularWeight: 429.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

InChI

InChI=1S/C23H32N4O4/c1-2-31-23(30)26-10-7-18(8-11-26)25-21(28)15-20-22(29)24-9-12-27(20)19-13-16-5-3-4-6-17(16)14-19/h3-6,18-20H,2,7-15H2,1H3,(H,24,29)(H,25,28)/p+1/t20-/m1/s1