6-[[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-yl-ethyl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-yl-ethyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[(2S)-2-(dimethylammonio)-2-(3-thienyl)ethyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[[(2S)-2-(dimethylammonio)-2-(3-thiophenyl)ethyl]amino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-ylethyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[(2S)-2-(dimethylammonio)-2-(3-thienyl)ethyl]carbamoyl]pyridazin-3-olate Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=NN=C(C=C1)[O-])C2=CSC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=NN=C(C=C1)[O-])C2=CSC=C2

InChI

InChI=1S/C13H16N4O2S/c1-17(2)11(9-5-6-20-8-9)7-14-13(19)10-3-4-12(18)16-15-10/h3-6,8,11H,7H2,1-2H3,(H,14,19)(H,16,18)/t11-/m1/s1