N-methyl-2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]pyran-3-yl]oxy-ethanamide

Systemtic Name: N-methyl-2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]pyran-3-yl]oxy-ethanamide Openeye Name: 2-[6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-pyran-3-yl]oxy-N-methyl-acetamide CAS Name: N-methyl-2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-pyranyl]oxy]acetamide IUPAC Name: 2-[6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide Traditional Name: 2-[6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-N-methyl-acetamide Formula: C20H27N3O4+2 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-21-20(25)15-27-19-14-26-17(11-18(19)24)13-23-9-7-22(8-10-23)12-16-5-3-2-4-6-16/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,21,25)/p+2