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

Systemtic Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxo-1-pyridyl]-N-phenethyl-acetamide CAS Name: 2-[2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-phenethylacetamide IUPAC Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxopyridin-1-yl]-N-phenethylacetamide Traditional Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-5-methoxy-1-pyridyl]-N-phenethyl-acetamide Formula: C27H32FN4O3+ MolecularWeight: 479.566383

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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)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H31FN4O3/c1-35-26-19-32(20-27(34)29-12-11-21-5-3-2-4-6-21)24(17-25(26)33)18-30-13-15-31(16-14-30)23-9-7-22(28)8-10-23/h2-10,17,19H,11-16,18,20H2,1H3,(H,29,34)/p+1