3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[oxo-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]methyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)C3=NNC(=O)CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)C(=O)C4=NNC(=O)CC4

InChI

InChI=1S/C20H27N5O2/c26-19-4-3-18(22-23-19)20(27)25-11-7-17(14-25)16-5-9-24(10-6-16)13-15-2-1-8-21-12-15/h1-2,8,12,16-17H,3-7,9-11,13-14H2,(H,23,26)/p+1/t17-/m0/s1