1-(2-fluorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium Formula: C27H28FN2O2+ MolecularWeight: 431.521823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=C4F)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=C4F)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H27FN2O2/c1-19-27(20-8-4-3-5-9-20)22-17-25(31-2)21(16-26(22)32-19)18-29-12-14-30(15-13-29)24-11-7-6-10-23(24)28/h3-11,16-17H,12-15,18H2,1-2H3/p+1