4-[[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole

Systemtic Name: 4-[[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole Openeye Name: 4-[[4-(2-furylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-(o-tolyl)thiazole CAS Name: 4-[[4-(2-furanylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-(2-methylphenyl)thiazole IUPAC Name: 4-[[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole Traditional Name: 4-[[4-(2-furfuryl)piperazine-1,4-diium-1-yl]methyl]-2-(o-tolyl)thiazole Formula: C20H25N3OS+2 MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C20H23N3OS/c1-16-5-2-3-7-19(16)20-21-17(15-25-20)13-22-8-10-23(11-9-22)14-18-6-4-12-24-18/h2-7,12,15H,8-11,13-14H2,1H3/p+2