N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]-N-[(5-methylisoxazol-3-yl)methyl]acetamide CAS Name: N-[(5-methyl-3-isoxazolyl)methyl]-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]-N-[(5-methylisoxazol-3-yl)methyl]acetamide Formula: C14H23N4O3+ MolecularWeight: 295.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CNC(=O)CC2C(=O)NCC[NH+]2C(C)C

Isomeric SMILES

CC1=CC(=NO1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2C(C)C

InChI

InChI=1S/C14H22N4O3/c1-9(2)18-5-4-15-14(20)12(18)7-13(19)16-8-11-6-10(3)21-17-11/h6,9,12H,4-5,7-8H2,1-3H3,(H,15,20)(H,16,19)/p+1/t12-/m1/s1