N-(2-piperidin-1-ium-1-ylethyl)-N'-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]ethanediamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H27N5O3/c28-20(25-16-17-8-4-5-11-23-17)18-9-2-3-10-19(18)26-22(30)21(29)24-12-15-27-13-6-1-7-14-27/h2-5,8-11H,1,6-7,12-16H2,(H,24,29)(H,25,28)(H,26,30)/p+1