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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-propan-2-yl-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)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-3-oxo-1-propan-2-yl-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-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(2-benzylthiazol-4-yl)methyl]-2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)NCC2=CSC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CSC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2S/c1-14(2)24-9-8-21-20(26)17(24)11-18(25)22-12-16-13-27-19(23-16)10-15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,21,26)(H,22,25)/p+1/t17-/m1/s1