(3E,5E)-1,1-dimethyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-1-ium-4-one iodide

Systemtic Name: (3E,5E)-1,1-dimethyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-1-ium-4-one iodide Openeye Name: (3E,5E)-1,1-dimethyl-3,5-bis(4-pyridylmethylene)piperidin-1-ium-4-one iodide CAS Name: (3E,5E)-1,1-dimethyl-3,5-bis(pyridin-4-ylmethylidene)-4-piperidin-1-iumone iodide IUPAC Name: (3E,5E)-1,1-dimethyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-1-ium-4-one iodide Traditional Name: (3E,5E)-1,1-dimethyl-3,5-bis(4-pyridylmethylene)piperidin-1-ium-4-one iodide Formula: C19H20IN3O MolecularWeight: 433.28607

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=CC2=CC=NC=C2)C(=O)C(=CC3=CC=NC=C3)C1)C.[I-]

Isomeric SMILES

C[N+]1(C/C(=C\C2=CC=NC=C2)/C(=O)/C(=C/C3=CC=NC=C3)/C1)C.[I-]

InChI

InChI=1S/C19H20N3O.HI/c1-22(2)13-17(11-15-3-7-20-8-4-15)19(23)18(14-22)12-16-5-9-21-10-6-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1/b17-11+,18-12+;