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

Systemtic Name: 5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H27N3O3/c1-28-21-5-3-19(4-6-21)23-15-22(30-25-23)17-27-11-9-26(10-12-27)16-18-2-7-24-20(14-18)8-13-29-24/h2-7,14-15H,8-13,16-17H2,1H3/p+1