methyl 4-(5-fluoranyl-2-pyridin-1-ium-2-yl-1H-indol-3-yl)butanoate chloride

Systemtic Name: methyl 4-(5-fluoranyl-2-pyridin-1-ium-2-yl-1H-indol-3-yl)butanoate chloride Openeye Name: methyl 4-(5-fluoro-2-pyridin-1-ium-2-yl-1H-indol-3-yl)butanoate chloride CAS Name: 4-[5-fluoro-2-(2-pyridin-1-iumyl)-1H-indol-3-yl]butanoic acid methyl ester chloride IUPAC Name: methyl 4-(5-fluoro-2-pyridin-1-ium-2-yl-1H-indol-3-yl)butanoate chloride Traditional Name: 4-(5-fluoro-2-pyridin-1-ium-2-yl-1H-indol-3-yl)butyric acid methyl ester chloride Formula: C18H18ClFN2O2 MolecularWeight: 348.799123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=C(NC2=C1C=C(C=C2)F)C3=CC=CC=[NH+]3.[Cl-]

Isomeric SMILES

COC(=O)CCCC1=C(NC2=C1C=C(C=C2)F)C3=CC=CC=[NH+]3.[Cl-]

InChI

InChI=1S/C18H17FN2O2.ClH/c1-23-17(22)7-4-5-13-14-11-12(19)8-9-15(14)21-18(13)16-6-2-3-10-20-16;/h2-3,6,8-11,21H,4-5,7H2,1H3;1H