2-[4-[(3R)-1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[(3R)-1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(3R)-1-(4-bromo-3-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[[(3R)-1-(4-bromo-3-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(3R)-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(3R)-1-(4-bromo-3-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C22H32BrN4O3+ MolecularWeight: 480.41848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C)Br

InChI

InChI=1S/C22H31BrN4O3/c1-15-11-17(5-6-18(15)23)27-13-16(12-20(27)29)21(30)26-9-7-25(8-10-26)14-19(28)24-22(2,3)4/h5-6,11,16H,7-10,12-14H2,1-4H3,(H,24,28)/p+1/t16-/m1/s1