N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(thiophen-2-ylmethyl)ethanediamide

Systemtic Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(thiophen-2-ylmethyl)ethanediamide Openeye Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(2-thienylmethyl)oxamide CAS Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N-(thiophen-2-ylmethyl)oxamide IUPAC Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-N-(thiophen-2-ylmethyl)oxamide Traditional Name: N'-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(2-thenyl)oxamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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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+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NCC2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C21H28N4O2S/c1-24(2)17-9-7-16(8-10-17)19(25-11-3-4-12-25)15-23-21(27)20(26)22-14-18-6-5-13-28-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3,(H,22,26)(H,23,27)/p+1/t19-/m0/s1