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

Systemtic Name: 3-[3-(3-methylpyrazol-1-yl)propyl-(3-oxidanidyl-3-oxidanylidene-propyl)azaniumyl]propanoate Openeye Name: 3-[3-(3-methylpyrazol-1-yl)propyl-(3-oxido-3-oxo-propyl)ammonio]propanoate CAS Name: 3-[3-(3-methyl-1-pyrazolyl)propyl-(3-oxido-3-oxopropyl)ammonio]propanoate IUPAC Name: 3-[3-(3-methylpyrazol-1-yl)propyl-(3-oxido-3-oxopropyl)azaniumyl]propanoate Traditional Name: 3-[(3-keto-3-oxido-propyl)-[3-(3-methylpyrazol-1-yl)propyl]ammonio]propionate Formula: C13H20N3O4- MolecularWeight: 282.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC[NH+](CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=NN(C=C1)CCC[NH+](CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C13H21N3O4/c1-11-3-10-16(14-11)7-2-6-15(8-4-12(17)18)9-5-13(19)20/h3,10H,2,4-9H2,1H3,(H,17,18)(H,19,20)/p-1