2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-pyran-3-yl]oxy-acetamide CAS Name: 2-[[6-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-pyranyl]oxy]-N-prop-2-enylacetamide IUPAC Name: 2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-keto-6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxy-acetamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)C(=CO3)OCC(=O)NCC=C

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)C(=CO3)OCC(=O)NCC=C

InChI

InChI=1S/C22H27N3O5/c1-3-8-23-22(27)16-30-21-15-29-17(13-19(21)26)14-24-9-11-25(12-10-24)18-6-4-5-7-20(18)28-2/h3-7,13,15H,1,8-12,14,16H2,2H3,(H,23,27)/p+1