1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-1-ium-1-yl]ethanone Formula: C22H29FN3O3+ MolecularWeight: 402.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H28FN3O3/c1-14-21(16(3)27)15(2)24-22(14)19(28)13-26-9-7-25(8-10-26)12-17-11-18(23)5-6-20(17)29-4/h5-6,11,24H,7-10,12-13H2,1-4H3/p+1