5,5-bis(phenylmethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione

Systemtic Name: 5,5-bis(phenylmethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Openeye Name: 5,5-dibenzyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione CAS Name: 5,5-bis(phenylmethyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: 5,5-dibenzyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Traditional Name: 5,5-dibenzyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]hydantoin Formula: C27H31N5O2+2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H29N5O2/c33-25-27(19-22-9-3-1-4-10-22,20-23-11-5-2-6-12-23)29-26(34)32(25)21-30-15-17-31(18-16-30)24-13-7-8-14-28-24/h1-14H,15-21H2,(H,29,34)/p+2