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

Systemtic Name: 2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-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-propan-2-ylacetamide IUPAC Name: 2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-keto-6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxy-acetamide Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-16(2)23-22(27)15-30-21-14-29-17(12-19(21)26)13-24-8-10-25(11-9-24)18-6-4-5-7-20(18)28-3/h4-7,12,14,16H,8-11,13,15H2,1-3H3,(H,23,27)/p+1