6-[5-ethyl-4-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[5-ethyl-4-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-ethyl-4-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[5-ethyl-4-[oxo-[[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]amino]methyl]-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[5-ethyl-4-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-ethyl-4-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate Formula: C19H23N7O2S MolecularWeight: 413.49662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

Isomeric SMILES

CCC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

InChI

InChI=1S/C19H23N7O2S/c1-2-15-14(10-20-26(15)16-6-7-17(27)24-23-16)18(28)22-19-21-13(12-29-19)11-25-8-4-3-5-9-25/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,24,27)(H,21,22,28)