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

Systemtic Name: 6-[[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]carbonyl]pyridazin-3-olate Openeye Name: 6-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]pyridazin-3-olate CAS Name: 6-[oxo-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methyl]-3-pyridazinolate IUPAC Name: 6-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]pyridazin-3-olate Traditional Name: 6-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]pyridazin-3-olate Formula: C21H26N4O2 MolecularWeight: 366.45674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(C2)C(=O)C3=NN=C(C=C3)[O-])C[NH+](C1)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@]2(CCN(C2)C(=O)C3=NN=C(C=C3)[O-])C[NH+](C1)CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2/c26-19-8-7-18(22-23-19)20(27)25-14-11-21(16-25)10-4-12-24(15-21)13-9-17-5-2-1-3-6-17/h1-3,5-8H,4,9-16H2,(H,23,26)/t21-/m0/s1