4-[[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]-2-methyl-1,3-thiazole

Systemtic Name: 4-[[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]-2-methyl-1,3-thiazole Openeye Name: 4-[[4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]-2-methyl-thiazole CAS Name: 4-[[4-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]methyl]-2-methylthiazole IUPAC Name: 4-[[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]-2-methyl-1,3-thiazole Traditional Name: 4-[[4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]-2-methyl-thiazole Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=NC(=CS1)CN2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H23N5OS/c1-15-23-18(14-28-15)13-26-8-6-25(7-9-26)12-17-11-22-24-21(17)20-10-16-4-2-3-5-19(16)27-20/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,22,24)/p+1