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

Systemtic Name: 5,5-diphenyl-3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]imidazolidine-2,4-dione Openeye Name: 5,5-diphenyl-3-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]imidazolidine-2,4-dione CAS Name: 5,5-diphenyl-3-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: 5,5-diphenyl-3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]imidazolidine-2,4-dione Traditional Name: 5,5-diphenyl-3-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]hydantoin Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)CN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)CN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S/c30-23-25(21-7-3-1-4-8-21,22-9-5-2-6-10-22)26-24(31)29(23)19-28-14-12-27(13-15-28)17-20-11-16-32-18-20/h1-11,16,18H,12-15,17,19H2,(H,26,31)/p+1