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

Systemtic Name: 1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone Formula: C21H26FN2O3+ MolecularWeight: 373.441143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3/c1-26-18-6-3-16(4-7-18)14-21(25)24-11-9-23(10-12-24)15-17-5-8-20(27-2)19(22)13-17/h3-8,13H,9-12,14-15H2,1-2H3/p+1