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

Systemtic Name: N-cyclohexyl-2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxy-ethanamide Openeye Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxo-pyran-3-yl]oxy-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-pyranyl]oxy]acetamide IUPAC Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-cyclohexylacetamide Traditional Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-N-cyclohexyl-acetamide Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4/c29-23-15-22(17-28-13-11-27(12-14-28)16-20-7-3-1-4-8-20)31-18-24(23)32-19-25(30)26-21-9-5-2-6-10-21/h1,3-4,7-8,15,18,21H,2,5-6,9-14,16-17,19H2,(H,26,30)/p+1