1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone

Systemtic Name: 1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[4-(5-fluoro-2-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=C(C=CC(=C3)F)OC

Isomeric SMILES

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

InChI

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