3-[3-[1-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-4-methoxy-aniline

Systemtic Name: 3-[3-[1-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-4-methoxy-aniline Openeye Name: 3-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-4-methoxy-aniline CAS Name: 3-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidin-1-iumyl]propoxy]-4-methoxyaniline IUPAC Name: 3-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-4-methoxyaniline Traditional Name: [3-[3-[1-(6-fluoroindoxazen-3-yl)piperidin-1-ium-1-yl]propoxy]-4-methoxy-phenyl]amine Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)OCCC[N+]2(CCCCC2)C3=NOC4=C3C=CC(=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)N)OCCC[N+]2(CCCCC2)C3=NOC4=C3C=CC(=C4)F

InChI

InChI=1S/C22H27FN3O3/c1-27-19-9-7-17(24)15-21(19)28-13-5-12-26(10-3-2-4-11-26)22-18-8-6-16(23)14-20(18)29-25-22/h6-9,14-15H,2-5,10-13,24H2,1H3/q+1