4,5-bis(chloranyl)-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[(2S)-2-(3-pyridyl)pyrrolidin-1-ium-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[(2S)-2-(3-pyridinyl)-1-pyrrolidin-1-iumyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[[(2S)-2-(3-pyridyl)pyrrolidin-1-ium-1-yl]methyl]pyridazin-3-one Formula: C14H15Cl2N4O+ MolecularWeight: 326.2011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=O)C(=C(C=N2)Cl)Cl)C3=CN=CC=C3

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2C(=O)C(=C(C=N2)Cl)Cl)C3=CN=CC=C3

InChI

InChI=1S/C14H14Cl2N4O/c15-11-8-18-20(14(21)13(11)16)9-19-6-2-4-12(19)10-3-1-5-17-7-10/h1,3,5,7-8,12H,2,4,6,9H2/p+1/t12-/m0/s1