2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C19H23FN3O2+ MolecularWeight: 344.403223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)F

InChI

InChI=1S/C19H22FN3O2/c1-25-18-3-2-16(12-17(18)20)13-19(24)23-10-8-22(9-11-23)14-15-4-6-21-7-5-15/h2-7,12H,8-11,13-14H2,1H3/p+1