N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide

Systemtic Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide Openeye Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(3-pyridylmethyl)oxamide CAS Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N-(3-pyridinylmethyl)oxamide IUPAC Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-N-(pyridin-3-ylmethyl)oxamide Traditional Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(3-pyridylmethyl)oxamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NCC2=CN=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NCC2=CN=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C22H29N5O2/c1-26(2)19-9-7-18(8-10-19)20(27-12-3-4-13-27)16-25-22(29)21(28)24-15-17-6-5-11-23-14-17/h5-11,14,20H,3-4,12-13,15-16H2,1-2H3,(H,24,28)(H,25,29)/p+1/t20-/m0/s1