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

Systemtic Name: 3-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]methyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C(=O)C3=NNC(=O)CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C(=O)C3=NNC(=O)CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2/c27-21-7-6-20(23-24-21)22(28)26-14-10-18(11-15-26)19-9-13-25(16-19)12-8-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H,24,27)/p+1/t19-/m0/s1