6-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]carbonylpyridazin-3-olate

Systemtic Name: 6-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]carbonylpyridazin-3-olate Openeye Name: 6-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]pyridazin-3-olate CAS Name: 6-[[4-[(3R)-1-(2,2-dimethylpropyl)-3-pyrrolidin-1-iumyl]-1-piperidinyl]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]pyridazin-3-olate Traditional Name: 6-[4-[(3R)-1-neopentylpyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]pyridazin-3-olate Formula: C19H30N4O2 MolecularWeight: 346.4671

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(C1)C2CCN(CC2)C(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

CC(C)(C)C[NH+]1CC[C@@H](C1)C2CCN(CC2)C(=O)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C19H30N4O2/c1-19(2,3)13-22-9-6-15(12-22)14-7-10-23(11-8-14)18(25)16-4-5-17(24)21-20-16/h4-5,14-15H,6-13H2,1-3H3,(H,21,24)/t15-/m0/s1