(5E)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one

Systemtic Name: (5E)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one Openeye Name: (5E)-2-(4-benzylpiperazin-4-ium-1-yl)-5-(3-pyridylmethylene)thiazol-4-one CAS Name: (5E)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-(3-pyridinylmethylidene)-4-thiazolone IUPAC Name: (5E)-2-(4-benzylpiperazin-4-ium-1-yl)-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one Traditional Name: (5E)-2-(4-benzylpiperazin-4-ium-1-yl)-5-(3-pyridylmethylene)-2-thiazolin-4-one Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)C(=CC4=CN=CC=C4)S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CN=CC=C4)/S3

InChI

InChI=1S/C20H20N4OS/c25-19-18(13-17-7-4-8-21-14-17)26-20(22-19)24-11-9-23(10-12-24)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/p+1/b18-13+