2-cyclobutyl-5-fluoranyl-1-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]benzimidazole

Systemtic Name: 2-cyclobutyl-5-fluoranyl-1-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]benzimidazole Openeye Name: 2-cyclobutyl-5-fluoro-1-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]benzimidazole CAS Name: 2-cyclobutyl-5-fluoro-1-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]benzimidazole IUPAC Name: 2-cyclobutyl-5-fluoro-1-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]benzimidazole Traditional Name: 2-cyclobutyl-5-fluoro-1-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]benzimidazole Formula: C20H27FN3S+ MolecularWeight: 360.511883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=NC3=C(N2C4CC[NH+](CC4)C5CCSC5)C=CC(=C3)F

Isomeric SMILES

C1CC(C1)C2=NC3=C(N2C4CC[NH+](CC4)[C@H]5CCSC5)C=CC(=C3)F

InChI

InChI=1S/C20H26FN3S/c21-15-4-5-19-18(12-15)22-20(14-2-1-3-14)24(19)16-6-9-23(10-7-16)17-8-11-25-13-17/h4-5,12,14,16-17H,1-3,6-11,13H2/p+1/t17-/m0/s1