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

Systemtic Name: [(3S)-1-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C21H23FN3O2+ MolecularWeight: 368.424623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=C(N3)C=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=C(N3)C=C(C=C4)F

InChI

InChI=1S/C21H22FN3O2/c1-27-17-6-2-4-14(10-17)21(26)15-5-3-9-25(12-15)13-20-23-18-8-7-16(22)11-19(18)24-20/h2,4,6-8,10-11,15H,3,5,9,12-13H2,1H3,(H,23,24)/p+1/t15-/m0/s1