4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-phenylthiazole IUPAC Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N3OS/c1-2-4-19(5-3-1)23-24-21(17-28-23)16-26-11-9-25(10-12-26)15-18-6-7-22-20(14-18)8-13-27-22/h1-7,14,17H,8-13,15-16H2/p+1