N'-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide

Systemtic Name: N'-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]oxamide Traditional Name: N'-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C23H28N4O4/c1-26(2)18-8-5-16(6-9-18)19(27-11-3-4-12-27)14-24-22(28)23(29)25-17-7-10-20-21(13-17)31-15-30-20/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3,(H,24,28)(H,25,29)/p+1/t19-/m0/s1