2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]-N-[[4-(1-pyrazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-(4-pyrazol-1-ylbenzyl)acetamide Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CS4

InChI

InChI=1S/C21H23N5O2S/c27-20(23-14-16-4-6-17(7-5-16)26-10-2-8-24-26)13-19-21(28)22-9-11-25(19)15-18-3-1-12-29-18/h1-8,10,12,19H,9,11,13-15H2,(H,22,28)(H,23,27)/p+1/t19-/m1/s1