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

Systemtic Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(pyridin-2-ylmethyl)ethanediamide Openeye Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(2-pyridylmethyl)oxamide CAS Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-N-(2-pyridinylmethyl)oxamide IUPAC Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-N-(pyridin-2-ylmethyl)oxamide Traditional Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(2-pyridylmethyl)oxamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NCC2=CC=CC=N2)[NH+]3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NCC2=CC=CC=N2)[NH+]3CCOCC3

InChI

InChI=1S/C22H29N5O3/c1-26(2)19-8-6-17(7-9-19)20(27-11-13-30-14-12-27)16-25-22(29)21(28)24-15-18-5-3-4-10-23-18/h3-10,20H,11-16H2,1-2H3,(H,24,28)(H,25,29)/p+1/t20-/m0/s1