N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methylsulfanyl-benzamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methylsulfanyl-benzamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-2-(methylthio)benzamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methylsulfanylbenzamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-2-(methylthio)benzamide Formula: C20H24FN2OS+ MolecularWeight: 359.480763

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H23FN2OS/c1-25-19-11-5-3-9-17(19)20(24)22-16-8-6-12-23(14-16)13-15-7-2-4-10-18(15)21/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,22,24)/p+1/t16-/m0/s1