2-[3-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]indol-1-yl]ethanamide

Systemtic Name: 2-[3-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]indol-1-yl]ethanamide Openeye Name: 2-[3-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide CAS Name: 2-[3-[[(3S)-3-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-1-indolyl]acetamide IUPAC Name: 2-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide Traditional Name: 2-[3-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide Formula: C24H27FN3O3+ MolecularWeight: 424.487883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)CC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)[C@H]2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)CC(=O)N

InChI

InChI=1S/C24H26FN3O3/c1-31-22-9-8-18(25)11-20(22)24(30)16-5-4-10-27(12-16)13-17-14-28(15-23(26)29)21-7-3-2-6-19(17)21/h2-3,6-9,11,14,16H,4-5,10,12-13,15H2,1H3,(H2,26,29)/p+1/t16-/m0/s1