N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-(6-oxo-1H-pyridin-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(6-keto-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C16H20N5O4+ MolecularWeight: 346.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-11-8-13(19-25-11)18-15(23)10-20-4-6-21(7-5-20)16(24)12-2-3-14(22)17-9-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,22)(H,18,19,23)/p+1