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

Systemtic Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(thiophen-2-ylmethyl)ethanediamide Openeye Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(2-thienylmethyl)oxamide CAS Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-N-(thiophen-2-ylmethyl)oxamide IUPAC Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide Traditional Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(2-thenyl)oxamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NCC2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NCC2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C21H28N4O3S/c1-24(2)17-7-5-16(6-8-17)19(25-9-11-28-12-10-25)15-23-21(27)20(26)22-14-18-4-3-13-29-18/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,22,26)(H,23,27)/p+1/t19-/m0/s1