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

Systemtic Name: 3-[4-(6-phenylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(6-phenylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(6-phenyl-3-pyridazinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(6-phenylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(6-phenylpyridazin-3-yl)piperazin-1-ium-1-yl]propionate Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])C2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])C2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c22-17(23)8-9-20-10-12-21(13-11-20)16-7-6-15(18-19-16)14-4-2-1-3-5-14/h1-7H,8-13H2,(H,22,23)