1-(1-adamantyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-(1-adamantyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-(1-adamantyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-(1-adamantyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-(1-adamantyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-(1-adamantyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Formula: C23H31N5O3+2 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=[NH+]6

InChI

InChI=1S/C23H29N5O3/c29-20-21(30)28(23-12-16-9-17(13-23)11-18(10-16)14-23)22(31)27(20)15-25-5-7-26(8-6-25)19-3-1-2-4-24-19/h1-4,16-18H,5-15H2/p+2