1-(phenylmethyl)-3-(pyridin-1-ium-2-ylmethylidene)-5-(pyridin-2-ylmethylidene)piperidin-1-ium-4-one

Systemtic Name: 1-(phenylmethyl)-3-(pyridin-1-ium-2-ylmethylidene)-5-(pyridin-2-ylmethylidene)piperidin-1-ium-4-one Openeye Name: 1-benzyl-3-(pyridin-1-ium-2-ylmethylene)-5-(2-pyridylmethylene)piperidin-1-ium-4-one CAS Name: 1-(phenylmethyl)-3-(2-pyridin-1-iumylmethylidene)-5-(2-pyridinylmethylidene)-4-piperidin-1-iumone IUPAC Name: 1-benzyl-3-(pyridin-1-ium-2-ylmethylidene)-5-(pyridin-2-ylmethylidene)piperidin-1-ium-4-one Traditional Name: 1-benzyl-3-(pyridin-1-ium-2-ylmethylene)-5-(2-pyridylmethylene)piperidin-1-ium-4-one Formula: C24H23N3O+2 MolecularWeight: 369.45892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=CC=[NH+]2)C(=O)C(=CC3=CC=CC=N3)C[NH+]1CC4=CC=CC=C4

Isomeric SMILES

C1C(=CC2=CC=CC=[NH+]2)C(=O)C(=CC3=CC=CC=N3)C[NH+]1CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O/c28-24-20(14-22-10-4-6-12-25-22)17-27(16-19-8-2-1-3-9-19)18-21(24)15-23-11-5-7-13-26-23/h1-15H,16-18H2/p+2