2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-[(4-hydroxyphenyl)methylene]thiazol-4-one CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-[(4-hydroxyphenyl)methylidene]-4-thiazolone IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 5-(4-hydroxybenzylidene)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-thiazolin-4-one Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=NC(=O)C(=CC3=CC=C(C=C3)O)S2

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=NC(=O)C(=CC3=CC=C(C=C3)O)S2

InChI

InChI=1S/C16H19N3O3S/c20-10-9-18-5-7-19(8-6-18)16-17-15(22)14(23-16)11-12-1-3-13(21)4-2-12/h1-4,11,20-21H,5-10H2/p+1