N-ethyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide

Systemtic Name: N-ethyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: N-ethyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: N-ethyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Formula: C18H30N5O2+ MolecularWeight: 348.4631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O2/c1-4-21(12-13-23-9-5-7-20-23)17(24)14-16-18(25)19-8-11-22(16)10-6-15(2)3/h5-7,9,16H,4,8,10-14H2,1-3H3,(H,19,25)/p+1/t16-/m1/s1