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

Systemtic Name: (3Z,5E)-1-(phenylmethyl)-3,5-bis(thiophen-3-ylmethylidene)piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-benzyl-3,5-bis(3-thienylmethylene)piperidin-1-ium-4-one CAS Name: (3Z,5E)-1-(phenylmethyl)-3,5-bis(3-thiophenylmethylidene)-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-benzyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-benzyl-3,5-bis(3-thenylidene)piperidin-1-ium-4-one Formula: C22H20NOS2+ MolecularWeight: 378.5303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NOS2/c24-22-20(10-18-6-8-25-15-18)13-23(12-17-4-2-1-3-5-17)14-21(22)11-19-7-9-26-16-19/h1-11,15-16H,12-14H2/p+1/b20-10-,21-11+