(3Z,5E)-1-(phenylmethyl)-3,5-bis(pyridin-3-ylmethylidene)piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-1-(phenylmethyl)-3,5-bis(pyridin-3-ylmethylidene)piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-benzyl-3,5-bis(3-pyridylmethylene)piperidin-1-ium-4-one CAS Name: (3Z,5E)-1-(phenylmethyl)-3,5-bis(3-pyridinylmethylidene)-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-benzyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-benzyl-3,5-bis(3-pyridylmethylene)piperidin-1-ium-4-one Formula: C24H22N3O+ MolecularWeight: 368.45098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CN=CC=C2)C(=O)C(=CC3=CN=CC=C3)C[NH+]1CC4=CC=CC=C4

Isomeric SMILES

C1/C(=C\C2=CN=CC=C2)/C(=O)/C(=C\C3=CN=CC=C3)/C[NH+]1CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O/c28-24-22(12-20-8-4-10-25-14-20)17-27(16-19-6-2-1-3-7-19)18-23(24)13-21-9-5-11-26-15-21/h1-15H,16-18H2/p+1/b22-12-,23-13+