2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]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=C(NN=C2)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=C(NN=C2)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C21H23N5O2S/c27-19(23-12-16-13-24-25-20(16)15-5-2-1-3-6-15)11-18-21(28)22-8-9-26(18)14-17-7-4-10-29-17/h1-7,10,13,18H,8-9,11-12,14H2,(H,22,28)(H,23,27)(H,24,25)/p+1/t18-/m1/s1