2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-[[2-(phenylmethyl)-1,3-thiazol-4-yl]methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-[[2-(phenylmethyl)-1,3-thiazol-4-yl]methyl]ethanamide Openeye Name: N-[(2-benzylthiazol-4-yl)methyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]-N-[[2-(phenylmethyl)-4-thiazolyl]methyl]acetamide IUPAC Name: N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(2-benzylthiazol-4-yl)methyl]-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=CSC(=N2)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=CSC(=N2)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c30-23(27-17-21-18-32-24(28-21)15-20-9-5-2-6-10-20)16-22-25(31)26-12-14-29(22)13-11-19-7-3-1-4-8-19/h1-10,18,22H,11-17H2,(H,26,31)(H,27,30)/p+1/t22-/m1/s1