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

Systemtic Name: (5Z)-5-[(3-methylphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-(m-tolylmethylene)thiazol-4-one CAS Name: (5Z)-5-[(3-methylphenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5Z)-5-[(3-methylphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5Z)-5-(3-methylbenzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=O)N=C(S2)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H19N3OS/c1-12-4-3-5-13(10-12)11-14-15(20)17-16(21-14)19-8-6-18(2)7-9-19/h3-5,10-11H,6-9H2,1-2H3/p+1/b14-11-