N-[[(3S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3S)-1-(2-fluoro-4-methoxy-benzyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C19H24FN2O2S+ MolecularWeight: 363.469463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CS3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC=CS3)F

InChI

InChI=1S/C19H23FN2O2S/c1-24-16-7-6-15(17(20)10-16)13-22-8-2-4-14(12-22)11-21-19(23)18-5-3-9-25-18/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H,21,23)/p+1/t14-/m0/s1