3-[(3-oxidanidyl-3-oxidanylidene-propyl)-(3-pyrazol-1-ylpropyl)azaniumyl]propanoate

Systemtic Name: 3-[(3-oxidanidyl-3-oxidanylidene-propyl)-(3-pyrazol-1-ylpropyl)azaniumyl]propanoate Openeye Name: 3-[(3-oxido-3-oxo-propyl)-(3-pyrazol-1-ylpropyl)ammonio]propanoate CAS Name: 3-[(3-oxido-3-oxopropyl)-[3-(1-pyrazolyl)propyl]ammonio]propanoate IUPAC Name: 3-[(3-oxido-3-oxopropyl)-(3-pyrazol-1-ylpropyl)azaniumyl]propanoate Traditional Name: 3-[(3-keto-3-oxido-propyl)-(3-pyrazol-1-ylpropyl)ammonio]propionate Formula: C12H18N3O4- MolecularWeight: 268.28902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCC[NH+](CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CN(N=C1)CCC[NH+](CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C12H19N3O4/c16-11(17)3-9-14(10-4-12(18)19)6-2-8-15-7-1-5-13-15/h1,5,7H,2-4,6,8-10H2,(H,16,17)(H,18,19)/p-1