2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)C(=O)CC2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

Isomeric SMILES

CCN(CCN1C=CC=N1)C(=O)C[C@@H]2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H29N5O2/c1-2-25(12-13-26-10-5-8-24-26)21(28)16-20-22(29)23-9-11-27(20)19-14-17-6-3-4-7-18(17)15-19/h3-8,10,19-20H,2,9,11-16H2,1H3,(H,23,29)/p+1/t20-/m1/s1