N-(5-chloranylpyridin-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C18H21ClFN4O+ MolecularWeight: 363.836943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Cl)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Cl)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20ClFN4O/c19-15-4-5-17(21-11-15)22-18(25)13-24-8-6-23(7-9-24)12-14-2-1-3-16(20)10-14/h1-5,10-11H,6-9,12-13H2,(H,21,22,25)/p+1