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

Systemtic Name: 2-[4-[(3R)-1-(2-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(3R)-1-(2-bromophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[[(3R)-1-(2-bromophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(3R)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(3R)-1-(2-bromophenyl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C21H30BrN4O3+ MolecularWeight: 466.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3Br

InChI

InChI=1S/C21H29BrN4O3/c1-21(2,3)23-18(27)14-24-8-10-25(11-9-24)20(29)15-12-19(28)26(13-15)17-7-5-4-6-16(17)22/h4-7,15H,8-14H2,1-3H3,(H,23,27)/p+1/t15-/m1/s1