3-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(3-fluoro-4-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C20H24FN3O3+2 MolecularWeight: 373.421263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O)F

InChI

InChI=1S/C20H22FN3O3/c1-26-18-7-6-15(12-16(18)21)13-22-8-10-23(11-9-22)14-24-17-4-2-3-5-19(17)27-20(24)25/h2-7,12H,8-11,13-14H2,1H3/p+2