3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C21H25N3O2S+2 MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C21H23N3O2S/c1-2-21(27-11-1)20-13-18(22-26-20)15-24-8-6-23(7-9-24)14-16-3-4-19-17(12-16)5-10-25-19/h1-4,11-13H,5-10,14-15H2/p+2