1-methyl-3-(pyridin-1-ium-3-ylmethylidene)-5-(pyridin-3-ylmethylidene)piperidin-1-ium-4-one

Systemtic Name: 1-methyl-3-(pyridin-1-ium-3-ylmethylidene)-5-(pyridin-3-ylmethylidene)piperidin-1-ium-4-one Openeye Name: 1-methyl-3-(pyridin-1-ium-3-ylmethylene)-5-(3-pyridylmethylene)piperidin-1-ium-4-one CAS Name: 1-methyl-3-(3-pyridin-1-iumylmethylidene)-5-(3-pyridinylmethylidene)-4-piperidin-1-iumone IUPAC Name: 1-methyl-3-(pyridin-1-ium-3-ylmethylidene)-5-(pyridin-3-ylmethylidene)piperidin-1-ium-4-one Traditional Name: 1-methyl-3-(pyridin-1-ium-3-ylmethylene)-5-(3-pyridylmethylene)piperidin-1-ium-4-one Formula: C18H19N3O+2 MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=CC2=C[NH+]=CC=C2)C(=O)C(=CC3=CN=CC=C3)C1

Isomeric SMILES

C[NH+]1CC(=CC2=C[NH+]=CC=C2)C(=O)C(=CC3=CN=CC=C3)C1

InChI

InChI=1S/C18H17N3O/c1-21-12-16(8-14-4-2-6-19-10-14)18(22)17(13-21)9-15-5-3-7-20-11-15/h2-11H,12-13H2,1H3/p+2