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

Systemtic Name: 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylazaniumyl)ethyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylammonio)ethyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[[(2S)-2-(2-chlorophenyl)-2-(dimethylammonio)ethyl]amino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylazaniumyl)ethyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylammonio)ethyl]carbamoyl]pyridazin-3-olate Formula: C15H17ClN4O2 MolecularWeight: 320.77408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=NN=C(C=C1)[O-])C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=NN=C(C=C1)[O-])C2=CC=CC=C2Cl

InChI

InChI=1S/C15H17ClN4O2/c1-20(2)13(10-5-3-4-6-11(10)16)9-17-15(22)12-7-8-14(21)19-18-12/h3-8,13H,9H2,1-2H3,(H,17,22)(H,19,21)/t13-/m1/s1