1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-(2-fluoro-4-methoxy-benzyl)-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C23H26FN2O3+ MolecularWeight: 397.462543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O)F

InChI

InChI=1S/C23H25FN2O3/c1-28-19-8-7-18(21(24)13-19)16-26-11-9-23(27,10-12-26)15-20-14-22(25-29-20)17-5-3-2-4-6-17/h2-8,13-14,27H,9-12,15-16H2,1H3/p+1