2-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]-6-fluoranyl-1H-benzimidazole

Systemtic Name: 2-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]-6-fluoranyl-1H-benzimidazole Openeye Name: 2-[1-[(3R)-chroman-3-yl]piperidin-1-ium-4-yl]-6-fluoro-1H-benzimidazole CAS Name: 2-[1-[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-4-piperidin-1-iumyl]-6-fluoro-1H-benzimidazole IUPAC Name: 2-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]-6-fluoro-1H-benzimidazole Traditional Name: 2-[1-[(3R)-chroman-3-yl]piperidin-1-ium-4-yl]-6-fluoro-1H-benzimidazole Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=C(N2)C=C(C=C3)F)C4CC5=CC=CC=C5OC4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=C(N2)C=C(C=C3)F)[C@@H]4CC5=CC=CC=C5OC4

InChI

InChI=1S/C21H22FN3O/c22-16-5-6-18-19(12-16)24-21(23-18)14-7-9-25(10-8-14)17-11-15-3-1-2-4-20(15)26-13-17/h1-6,12,14,17H,7-11,13H2,(H,23,24)/p+1/t17-/m1/s1