N-[2-[4-(3-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[4-(3-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[4-(3-fluorobenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[4-(3-fluorobenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[4-(3-fluorobenzoyl)piperazin-1-ium-1-yl]ethyl]isonicotinamide Formula: C19H22FN4O2+ MolecularWeight: 357.401983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=NC=C2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=NC=C2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H21FN4O2/c20-17-3-1-2-16(14-17)19(26)24-12-10-23(11-13-24)9-8-22-18(25)15-4-6-21-7-5-15/h1-7,14H,8-13H2,(H,22,25)/p+1