1-(1-adamantyl)-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-(1-adamantyl)-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Openeye Name: 1-(1-adamantyl)-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-(1-adamantyl)-3-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-(1-adamantyl)-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-(1-adamantyl)-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=O)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CS6

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=O)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CS6

InChI

InChI=1S/C22H27N3O3S/c26-19-20(27)25(22-10-14-7-15(11-22)9-16(8-14)12-22)21(28)24(19)13-23-5-1-3-17(23)18-4-2-6-29-18/h2,4,6,14-17H,1,3,5,7-13H2/p+1/t14?,15?,16?,17-,22?/m1/s1