N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2,4-dimethyl-6-oxidanylidene-pyran-3-carboxamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2,4-dimethyl-6-oxidanylidene-pyran-3-carboxamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2,4-dimethyl-6-oxo-pyran-3-carboxamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-6-keto-2,4-dimethyl-pyran-3-carboxamide Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H26FN3O3/c1-15-14-19(26)28-16(2)20(15)21(27)23-8-5-9-24-10-12-25(13-11-24)18-7-4-3-6-17(18)22/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,23,27)/p+1