3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione

Systemtic Name: 3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione Openeye Name: 3-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione CAS Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methyl]-5,5-diphenylimidazolidine-2,4-dione IUPAC Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione Traditional Name: 3-[[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-hydantoin Formula: C28H30FN4O3+ MolecularWeight: 489.561203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)CN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)CN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29FN4O3/c1-36-25-13-12-24(29)18-21(25)19-31-14-16-32(17-15-31)20-33-26(34)28(30-27(33)35,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18H,14-17,19-20H2,1H3,(H,30,35)/p+1