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

Systemtic Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-ethylisoxazol-5-yl)methyl]-2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-ethyl-5-isoxazolyl)methyl]-2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(3-ethylisoxazol-5-yl)methyl]-2-[(2R)-1-(3-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C19H24FN4O3+ MolecularWeight: 375.417263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=NOC(=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H23FN4O3/c1-2-15-9-16(27-23-15)11-22-18(25)10-17-19(26)21-6-7-24(17)12-13-4-3-5-14(20)8-13/h3-5,8-9,17H,2,6-7,10-12H2,1H3,(H,21,26)(H,22,25)/p+1/t17-/m1/s1