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

Systemtic Name: 2-[4-[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(3R)-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C22H31N4O5+ MolecularWeight: 431.50534

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)[C@@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H30N4O5/c1-22(2,3)23-19(27)13-24-6-8-25(9-7-24)21(29)15-10-20(28)26(12-15)16-4-5-17-18(11-16)31-14-30-17/h4-5,11,15H,6-10,12-14H2,1-3H3,(H,23,27)/p+1/t15-/m1/s1