2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxo-1-pyridyl]acetamide CAS Name: 2-[2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxopyridin-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-5-methoxy-1-pyridyl]acetamide Formula: C22H28FN4O3+ MolecularWeight: 415.481123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)NCC=C

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)NCC=C

InChI

InChI=1S/C22H27FN4O3/c1-3-8-24-22(29)16-27-15-21(30-2)20(28)13-19(27)14-25-9-11-26(12-10-25)18-6-4-17(23)5-7-18/h3-7,13,15H,1,8-12,14,16H2,2H3,(H,24,29)/p+1