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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-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=C[N+](=CC=C3)[O-]

Isomeric SMILES

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

InChI

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