(5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one

Systemtic Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one Openeye Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-(1-naphthylmethylene)thiazol-4-one CAS Name: (5E)-2-(4-methyl-1-piperazin-4-iumyl)-5-(1-naphthalenylmethylidene)-4-thiazolone IUPAC Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one Traditional Name: (5E)-2-(4-methylpiperazin-4-ium-1-yl)-5-(1-naphthylmethylene)-2-thiazolin-4-one Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC4=CC=CC=C43)S2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)/C(=C\C3=CC=CC4=CC=CC=C43)/S2

InChI

InChI=1S/C19H19N3OS/c1-21-9-11-22(12-10-21)19-20-18(23)17(24-19)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13H,9-12H2,1H3/p+1/b17-13+