N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]nicotinamide Formula: C23H24FN4O+ MolecularWeight: 391.461263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H23FN4O/c24-22-6-2-1-4-19(22)17-27-12-14-28(15-13-27)21-9-7-20(8-10-21)26-23(29)18-5-3-11-25-16-18/h1-11,16H,12-15,17H2,(H,26,29)/p+1