N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]nicotinamide Formula: C17H20FN4O+ MolecularWeight: 315.365303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CNC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CNC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4O/c18-15-3-5-16(6-4-15)22-10-8-21(9-11-22)13-20-17(23)14-2-1-7-19-12-14/h1-7,12H,8-11,13H2,(H,20,23)/p+1