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

Systemtic Name: 5-[(3,4-diethoxyphenyl)methylidene]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazol-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-[(3,4-diethoxyphenyl)methylene]thiazol-4-one CAS Name: 5-[(3,4-diethoxyphenyl)methylidene]-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-thiazolone IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-[(3,4-diethoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(3,4-diethoxybenzylidene)-2-thiazolin-4-one Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4)OCC

InChI

InChI=1S/C25H29N3O3S/c1-3-30-21-11-10-20(16-22(21)31-4-2)17-23-24(29)26-25(32-23)28-14-12-27(13-15-28)18-19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15,18H2,1-2H3/p+1