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

Systemtic Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide Openeye Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(3-pyridylmethyl)oxamide CAS Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-N-(3-pyridinylmethyl)oxamide IUPAC Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-N-(pyridin-3-ylmethyl)oxamide Traditional Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(3-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=CN=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NCC2=CN=CC=C2)[NH+]3CCOCC3

InChI

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