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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-5,5-diphenylimidazolidine-2,4-dione IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione Traditional Name: 5,5-diphenyl-3-[(4-piperonylpiperazin-4-ium-1-yl)methyl]hydantoin Formula: C28H29N4O4+ MolecularWeight: 485.55426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C(=O)C(NC4=O)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C(=O)C(NC4=O)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H28N4O4/c33-26-28(22-7-3-1-4-8-22,23-9-5-2-6-10-23)29-27(34)32(26)19-31-15-13-30(14-16-31)18-21-11-12-24-25(17-21)36-20-35-24/h1-12,17H,13-16,18-20H2,(H,29,34)/p+1