N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]ethanediamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]ethanediamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-[2-(2-pyridylmethylcarbamoyl)phenyl]oxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-N'-[2-[oxo-(2-pyridinylmethylamino)methyl]phenyl]oxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N'-[2-(2-pyridylmethylcarbamoyl)phenyl]oxamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H27N5O3/c1-2-27-13-7-9-17(27)15-25-21(29)22(30)26-19-11-4-3-10-18(19)20(28)24-14-16-8-5-6-12-23-16/h3-6,8,10-12,17H,2,7,9,13-15H2,1H3,(H,24,28)(H,25,29)(H,26,30)/p+1/t17-/m0/s1