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

Systemtic Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-ethylisoxazol-5-yl)methyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-ethyl-5-isoxazolyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(3-ethylisoxazol-5-yl)methyl]-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CCC1=NOC(=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-2-16-12-17(27-23-16)14-22-19(25)13-18-20(26)21-9-11-24(18)10-8-15-6-4-3-5-7-15/h3-7,12,18H,2,8-11,13-14H2,1H3,(H,21,26)(H,22,25)/p+1/t18-/m1/s1