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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-[(2-isopropylthiazol-4-yl)methyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]-N-[(2-propan-2-yl-4-thiazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-[(2-isopropylthiazol-4-yl)methyl]acetamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=CS1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3

InChI

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