3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione

Systemtic Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione Openeye Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-5,5-diphenylimidazolidine-2,4-dione IUPAC Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione Traditional Name: 3-[[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-hydantoin Formula: C29H31N4O3+ MolecularWeight: 483.58144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CN4C(=O)C(NC4=O)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CN4C(=O)C(NC4=O)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H30N4O3/c34-27-29(24-7-3-1-4-8-24,25-9-5-2-6-10-25)30-28(35)33(27)21-32-16-14-31(15-17-32)20-22-11-12-26-23(19-22)13-18-36-26/h1-12,19H,13-18,20-21H2,(H,30,35)/p+1