N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(2-keto-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H22N5O4+ MolecularWeight: 372.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C18H21N5O4/c1-13-10-16(20-27-13)19-17(24)11-21-6-8-22(9-7-21)12-23-14-4-2-3-5-15(14)26-18(23)25/h2-5,10H,6-9,11-12H2,1H3,(H,19,20,24)/p+1