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

Systemtic Name: N-ethyl-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: N-ethyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: N-ethyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

CCN(CCN1C=CC=N1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C18H25N5O2S/c1-2-21(10-11-23-8-4-6-20-23)17(24)13-16-18(25)19-7-9-22(16)14-15-5-3-12-26-15/h3-6,8,12,16H,2,7,9-11,13-14H2,1H3,(H,19,25)/p+1/t16-/m1/s1