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

Systemtic Name: 5,5-bis(phenylmethyl)-3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]imidazolidine-2,4-dione Openeye Name: 5,5-dibenzyl-3-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]imidazolidine-2,4-dione CAS Name: 5,5-bis(phenylmethyl)-3-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: 5,5-dibenzyl-3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]imidazolidine-2,4-dione Traditional Name: 5,5-dibenzyl-3-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]hydantoin Formula: C27H31N4O2S+ MolecularWeight: 475.62564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)CN3C(=O)C(NC3=O)(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)CN3C(=O)C(NC3=O)(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O2S/c32-25-27(17-22-7-3-1-4-8-22,18-23-9-5-2-6-10-23)28-26(33)31(25)21-30-14-12-29(13-15-30)19-24-11-16-34-20-24/h1-11,16,20H,12-15,17-19,21H2,(H,28,33)/p+1