2-methyl-5-[4-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ium-1-yl-ethanoyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ium-1-yl-ethanoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[(2R)-2-(3-pyridyl)-2-pyrrolidin-1-ium-1-yl-acetyl]piperazin-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[(2R)-1-oxo-2-(3-pyridinyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ium-1-ylacetyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[(2R)-2-(3-pyridyl)-2-pyrrolidin-1-ium-1-yl-acetyl]piperazino]pyridazin-3-one Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)C(C3=CN=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)[C@@H](C3=CN=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C20H26N6O2/c1-23-18(27)13-17(15-22-23)24-9-11-26(12-10-24)20(28)19(25-7-2-3-8-25)16-5-4-6-21-14-16/h4-6,13-15,19H,2-3,7-12H2,1H3/p+1/t19-/m1/s1