N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[(3S)-3-methyl-1-oxo-isochromane-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[[(3S)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3S)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(3S)-1-keto-3-methyl-isochroman-3-carbonyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H25N4O5+ MolecularWeight: 413.447

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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=C4C(=O)O3)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)[C@@]3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C21H24N4O5/c1-14-11-17(23-30-14)22-18(26)13-24-7-9-25(10-8-24)20(28)21(2)12-15-5-3-4-6-16(15)19(27)29-21/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,23,26)/p+1/t21-/m0/s1