3-[2-(5-methylpyrazol-1-yl)ethyl-(3-oxidanidyl-3-oxidanylidene-propyl)azaniumyl]propanoate

Systemtic Name: 3-[2-(5-methylpyrazol-1-yl)ethyl-(3-oxidanidyl-3-oxidanylidene-propyl)azaniumyl]propanoate Openeye Name: 3-[2-(5-methylpyrazol-1-yl)ethyl-(3-oxido-3-oxo-propyl)ammonio]propanoate CAS Name: 3-[2-(5-methyl-1-pyrazolyl)ethyl-(3-oxido-3-oxopropyl)ammonio]propanoate IUPAC Name: 3-[2-(5-methylpyrazol-1-yl)ethyl-(3-oxido-3-oxopropyl)azaniumyl]propanoate Traditional Name: 3-[(3-keto-3-oxido-propyl)-[2-(5-methylpyrazol-1-yl)ethyl]ammonio]propionate Formula: C12H18N3O4- MolecularWeight: 268.28902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CC[NH+](CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=CC=NN1CC[NH+](CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C12H19N3O4/c1-10-2-5-13-15(10)9-8-14(6-3-11(16)17)7-4-12(18)19/h2,5H,3-4,6-9H2,1H3,(H,16,17)(H,18,19)/p-1