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

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]thiazol-4-one CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-thiazolone IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 5-(4-benzoxy-3-methoxy-benzylidene)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-thiazolin-4-one Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCO)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCO)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-30-21-15-19(7-8-20(21)31-17-18-5-3-2-4-6-18)16-22-23(29)25-24(32-22)27-11-9-26(10-12-27)13-14-28/h2-8,15-16,28H,9-14,17H2,1H3/p+1