(5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C23H25FN3O2+ MolecularWeight: 394.461903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2CCC[NH+](C2)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C23H24FN3O2/c1-29-22-9-8-18(24)13-21(22)23(28)17-5-3-11-26(15-17)16-20-7-4-12-27(20)19-6-2-10-25-14-19/h2,4,6-10,12-14,17H,3,5,11,15-16H2,1H3/p+1/t17-/m0/s1