3-[4-(6-methylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(6-methylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(6-methylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(6-methyl-3-pyridazinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(6-methylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(6-methylpyridazin-3-yl)piperazin-1-ium-1-yl]propionate Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)N2CC[NH+](CC2)CCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(C=C1)N2CC[NH+](CC2)CCC(=O)[O-]

InChI

InChI=1S/C12H18N4O2/c1-10-2-3-11(14-13-10)16-8-6-15(7-9-16)5-4-12(17)18/h2-3H,4-9H2,1H3,(H,17,18)