9,9-dimethyl-3-(6-phenylpyridazin-3-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane

Systemtic Name: 9,9-dimethyl-3-(6-phenylpyridazin-3-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane Openeye Name: 9,9-dimethyl-3-(6-phenylpyridazin-3-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane CAS Name: 9,9-dimethyl-3-(6-phenyl-3-pyridazinyl)-3-aza-9-azoniabicyclo[3.3.1]nonane IUPAC Name: 9,9-dimethyl-3-(6-phenylpyridazin-3-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane Traditional Name: 9,9-dimethyl-3-(6-phenylpyridazin-3-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane Formula: C19H25N4+ MolecularWeight: 309.4286

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1CN(C2)C3=NN=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

C[N+]1(C2CCCC1CN(C2)C3=NN=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C19H25N4/c1-23(2)16-9-6-10-17(23)14-22(13-16)19-12-11-18(20-21-19)15-7-4-3-5-8-15/h3-5,7-8,11-12,16-17H,6,9-10,13-14H2,1-2H3/q+1