6-[[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]carbonyl]pyridazin-3-olate

Systemtic Name: 6-[[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]carbonyl]pyridazin-3-olate Openeye Name: 6-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]pyridazin-3-olate CAS Name: 6-[[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]pyridazin-3-olate Traditional Name: 6-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]pyridazin-3-olate Formula: C20H30N4O2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC3(C2)CCN(C3)C(=O)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@]3(C2)CCN(C3)C(=O)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C20H30N4O2/c25-18-8-7-17(21-22-18)19(26)24-12-10-20(15-24)9-4-11-23(14-20)13-16-5-2-1-3-6-16/h7-8,16H,1-6,9-15H2,(H,22,25)/t20-/m0/s1