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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

InChI

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