3-[[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]imidazolidine-2,4-dione

Systemtic Name: 3-[[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]imidazolidine-2,4-dione Openeye Name: 3-[[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione CAS Name: 3-[[2-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]methyl]imidazolidine-2,4-dione IUPAC Name: 3-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione Traditional Name: 3-[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]benzyl]hydantoin Formula: C21H28N5O4+ MolecularWeight: 414.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3CN4C(=O)CNC4=O

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3CN4C(=O)CNC4=O

InChI

InChI=1S/C21H27N5O4/c27-18-13-22-21(30)26(18)14-16-5-1-2-6-17(16)20(29)25-11-9-23(10-12-25)15-19(28)24-7-3-4-8-24/h1-2,5-6H,3-4,7-15H2,(H,22,30)/p+1