[(3S)-1-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=NC4=C(N3)C=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=C(N3)C=C(C=C4)F

InChI

InChI=1S/C21H22FN3OS/c1-27-19-7-3-2-6-16(19)21(26)14-5-4-10-25(12-14)13-20-23-17-9-8-15(22)11-18(17)24-20/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,23,24)/p+1/t14-/m0/s1