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

Systemtic Name: [(3S)-1-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=C(N3)C=C(C=C4)F

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=C(N3)C=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2/c1-15(2)29-19-7-3-5-16(11-19)23(28)17-6-4-10-27(13-17)14-22-25-20-9-8-18(24)12-21(20)26-22/h3,5,7-9,11-12,15,17H,4,6,10,13-14H2,1-2H3,(H,25,26)/p+1/t17-/m0/s1