N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-keto-4H-1,4-benzoxazine-7-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C19H22N5O5+ MolecularWeight: 400.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4

InChI

InChI=1S/C19H21N5O5/c1-12-8-16(22-29-12)21-17(25)10-23-4-6-24(7-5-23)19(27)13-2-3-14-15(9-13)28-11-18(26)20-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,20,26)(H,21,22,25)/p+1