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

Systemtic Name: 2-[4-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxy-N-propyl-ethanamide Openeye Name: 2-[4-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxy-N-propyl-acetamide CAS Name: 2-[[4-oxo-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-pyranyl]oxy]-N-propylacetamide IUPAC Name: 2-[4-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxy-N-propylacetamide Traditional Name: 2-[4-keto-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxy-N-propyl-acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-2-8-22-21(26)16-28-20-15-27-18(13-19(20)25)14-23-9-11-24(12-10-23)17-6-4-3-5-7-17/h3-7,13,15H,2,8-12,14,16H2,1H3,(H,22,26)/p+1