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

Systemtic Name: 5-[(4-methoxyphenyl)methylidene]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazol-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-[(4-methoxyphenyl)methylene]thiazol-4-one CAS Name: 5-[(4-methoxyphenyl)methylidene]-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-thiazolone IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-p-anisylidene-2-thiazolin-4-one Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-27-19-9-7-17(8-10-19)15-20-21(26)23-22(28-20)25-13-11-24(12-14-25)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/p+1