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

Systemtic Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole Formula: C23H27N3O2+2 MolecularWeight: 377.47938

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-2-4-19(5-3-1)23-15-21(24-28-23)17-26-11-9-25(10-12-26)16-18-6-7-22-20(14-18)8-13-27-22/h1-7,14-15H,8-13,16-17H2/p+2