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

Systemtic Name: 2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-N-propyl-ethanamide Openeye Name: 2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-pyran-3-yl]oxy-N-propyl-acetamide CAS Name: 2-[[6-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-pyranyl]oxy]-N-propylacetamide IUPAC Name: 2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-propylacetamide Traditional Name: 2-[4-keto-6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxy-N-propyl-acetamide Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCCNC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3O5/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/h4-7,13,15H,3,8-12,14,16H2,1-2H3,(H,23,27)/p+1