6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpyridazin-3-olate

Systemtic Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpyridazin-3-olate Openeye Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyridazin-3-olate CAS Name: 6-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyridazin-3-olate Traditional Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyridazin-3-olate Formula: C17H15N4O2S- MolecularWeight: 339.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C17H16N4O2S/c22-15-9-8-12(19-20-15)17(23)21-10-4-3-6-13(21)16-18-11-5-1-2-7-14(11)24-16/h1-2,5,7-9,13H,3-4,6,10H2,(H,20,22)/p-1/t13-/m0/s1