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

Systemtic Name: 1-methyl-3-(pyridin-1-ium-4-ylmethylidene)-5-(pyridin-4-ylmethylidene)piperidin-1-ium-4-one Openeye Name: 1-methyl-3-(pyridin-1-ium-4-ylmethylene)-5-(4-pyridylmethylene)piperidin-1-ium-4-one CAS Name: 1-methyl-3-(4-pyridin-1-iumylmethylidene)-5-(pyridin-4-ylmethylidene)-4-piperidin-1-iumone IUPAC Name: 1-methyl-3-(pyridin-1-ium-4-ylmethylidene)-5-(pyridin-4-ylmethylidene)piperidin-1-ium-4-one Traditional Name: 1-methyl-3-(pyridin-1-ium-4-ylmethylene)-5-(4-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=CC=[NH+]C=C2)C(=O)C(=CC3=CC=NC=C3)C1

Isomeric SMILES

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

InChI

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