5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-olate iodide

Systemtic Name: 5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-olate iodide Openeye Name: 5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-olate iodide CAS Name: 5-chloro-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-4-pyrimidinolate iodide IUPAC Name: 5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-olate iodide Traditional Name: 5-chloro-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidin-4-olate iodide Formula: C22H24ClIN6O MolecularWeight: 550.82303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)[O-])Cl.[I-]

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)[O-])Cl.[I-]

InChI

InChI=1S/C22H24ClN6O.HI/c23-19-20(28-13-5-17(6-14-28)26-9-1-2-10-26)24-22(25-21(19)30)29-15-7-18(8-16-29)27-11-3-4-12-27;/h5-8,13-16H,1-4,9-12H2;1H/q+1;/p-1