N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-ketochromene-3-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C20H21N4O5+ MolecularWeight: 397.40454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H20N4O5/c1-13-10-17(22-29-13)21-18(25)12-23-6-8-24(9-7-23)19(26)15-11-14-4-2-3-5-16(14)28-20(15)27/h2-5,10-11H,6-9,12H2,1H3,(H,21,22,25)/p+1