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

Systemtic Name: 2-[4-[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(3R)-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C24H27N4O5+ MolecularWeight: 451.49498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)[C@@H]3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O5/c29-22(25-18-4-2-1-3-5-18)15-26-8-10-27(11-9-26)24(31)17-12-23(30)28(14-17)19-6-7-20-21(13-19)33-16-32-20/h1-7,13,17H,8-12,14-16H2,(H,25,29)/p+1/t17-/m1/s1