2-(4-ethylpiperazin-4-ium-1-yl)-5-(phenylmethylidene)-1,3-thiazol-4-one

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-(phenylmethylidene)-1,3-thiazol-4-one Openeye Name: 5-benzylidene-2-(4-ethylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-5-(phenylmethylene)-4-thiazolone IUPAC Name: 5-benzylidene-2-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: 5-benzal-2-(4-ethylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C16H20N3OS+ MolecularWeight: 302.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3)S2

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3)S2

InChI

InChI=1S/C16H19N3OS/c1-2-18-8-10-19(11-9-18)16-17-15(20)14(21-16)12-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3/p+1