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

Systemtic Name: N-(2-methoxyethyl)-2-[4-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxy-ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxy-acetamide CAS Name: N-(2-methoxyethyl)-2-[[4-oxo-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-pyranyl]oxy]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxyacetamide Traditional Name: 2-[4-keto-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxy-N-(2-methoxyethyl)acetamide Formula: C21H28N3O5+ MolecularWeight: 402.46412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-27-12-7-22-21(26)16-29-20-15-28-18(13-19(20)25)14-23-8-10-24(11-9-23)17-5-3-2-4-6-17/h2-6,13,15H,7-12,14,16H2,1H3,(H,22,26)/p+1