5-[(4-methylphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one

Systemtic Name: 5-[(4-methylphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-(p-tolylmethylene)thiazol-4-one CAS Name: 5-[(4-methylphenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: 5-[(4-methylphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: 5-(4-methylbenzylidene)-2-(4-methylpiperazin-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:

CC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)C

InChI

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