3-(1,3-benzoxazol-2-yl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C22H25FN3O3+ MolecularWeight: 398.450603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H24FN3O3/c1-28-19-7-6-17(23)14-16(19)15-25-10-12-26(13-11-25)22(27)9-8-21-24-18-4-2-3-5-20(18)29-21/h2-7,14H,8-13,15H2,1H3/p+1