2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-[[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-4-yl)pyrrolidin-3-yl]methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-[[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-4-yl)pyrrolidin-3-yl]methyl]ethanamide Openeye Name: 2-isoindolin-2-ium-2-yl-N-[[(3R)-1-(1-methyl-6-oxo-pyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide CAS Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-[[(3R)-1-(1-methyl-6-oxo-4-pyridazinyl)-3-pyrrolidinyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide Traditional Name: 2-isoindolin-2-ium-2-yl-N-[[(3R)-1-(6-keto-1-methyl-pyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCC(C2)CNC(=O)C[NH+]3CC4=CC=CC=C4C3

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[C@@H](C2)CNC(=O)C[NH+]3CC4=CC=CC=C4C3

InChI

InChI=1S/C20H25N5O2/c1-23-20(27)8-18(10-22-23)25-7-6-15(11-25)9-21-19(26)14-24-12-16-4-2-3-5-17(16)13-24/h2-5,8,10,15H,6-7,9,11-14H2,1H3,(H,21,26)/p+1/t15-/m1/s1