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

Systemtic Name: 2-[1-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Openeye Name: 2-[1-[(5-fluoro-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole CAS Name: 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-1,3-benzoxazole IUPAC Name: 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Traditional Name: 2-[1-(5-fluoro-2-methoxy-benzyl)piperidin-1-ium-4-yl]-1,3-benzoxazole Formula: C20H22FN2O2+ MolecularWeight: 341.399283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H21FN2O2/c1-24-18-7-6-16(21)12-15(18)13-23-10-8-14(9-11-23)20-22-17-4-2-3-5-19(17)25-20/h2-7,12,14H,8-11,13H2,1H3/p+1