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

Systemtic Name: 1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone CAS Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(1H-indol-3-yl)ethanone IUPAC Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43)F

InChI

InChI=1S/C22H24FN3O2/c1-28-21-7-6-16(12-19(21)23)15-25-8-10-26(11-9-25)22(27)13-17-14-24-20-5-3-2-4-18(17)20/h2-7,12,14,24H,8-11,13,15H2,1H3/p+1