5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate iodide

Systemtic Name: 5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate iodide Openeye Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate iodide CAS Name: 5-chloro-2,6-bis[4-(dimethylamino)-1-pyridin-1-iumyl]-4-pyrimidinolate iodide IUPAC Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate iodide Traditional Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate iodide Formula: C18H20ClIN6O MolecularWeight: 498.74847

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)N(C)C)[O-])Cl.[I-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)N(C)C)[O-])Cl.[I-]

InChI

InChI=1S/C18H20ClN6O.HI/c1-22(2)13-5-9-24(10-6-13)16-15(19)17(26)21-18(20-16)25-11-7-14(8-12-25)23(3)4;/h5-12H,1-4H3;1H/q+1;/p-1