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

Systemtic Name: 2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxy-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxo-pyran-3-yl]oxy-acetamide CAS Name: 2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-pyranyl]oxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxopyran-3-yl]oxyacetamide Traditional Name: N-benzyl-2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-acetamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c30-24-15-23(18-29-13-11-28(12-14-29)17-22-9-5-2-6-10-22)32-19-25(24)33-20-26(31)27-16-21-7-3-1-4-8-21/h1-10,15,19H,11-14,16-18,20H2,(H,27,31)/p+1