[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-fluoranyl-4-methoxy-phenyl)methanone

Systemtic Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-fluoranyl-4-methoxy-phenyl)methanone Openeye Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-fluoro-4-methoxy-phenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumyl]-(3-fluoro-4-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-fluoro-4-methoxyphenyl)methanone Traditional Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-fluoro-4-methoxy-phenyl)methanone Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C23H26FN3O2/c1-3-27-20-9-5-4-8-19(20)25-22(27)15-26-12-6-7-17(14-26)23(28)16-10-11-21(29-2)18(24)13-16/h4-5,8-11,13,17H,3,6-7,12,14-15H2,1-2H3/p+1/t17-/m0/s1