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

Systemtic Name: N-tert-butyl-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-tert-butyl-acetamide CAS Name: N-tert-butyl-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-tert-butylacetamide Traditional Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-N-tert-butyl-acetamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4/c1-23(2,3)24-22(28)17-30-21-16-29-19(13-20(21)27)15-26-11-9-25(10-12-26)14-18-7-5-4-6-8-18/h4-8,13,16H,9-12,14-15,17H2,1-3H3,(H,24,28)/p+1