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

Systemtic Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(2-isopropoxyphenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5Z)-2-(4-methyl-1-piperazin-4-iumyl)-5-[(2-propan-2-yloxyphenyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-5-(2-isopropoxybenzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC1=CC=CC=C1/C=C\2/C(=O)N=C(S2)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H23N3O2S/c1-13(2)23-15-7-5-4-6-14(15)12-16-17(22)19-18(24-16)21-10-8-20(3)9-11-21/h4-7,12-13H,8-11H2,1-3H3/p+1/b16-12-