N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N-(thiophen-2-ylmethyl)ethanediamide

Systemtic Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N-(thiophen-2-ylmethyl)ethanediamide Openeye Name: N'-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N-(2-thienylmethyl)oxamide CAS Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-N-(thiophen-2-ylmethyl)oxamide IUPAC Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]-N-(thiophen-2-ylmethyl)oxamide Traditional Name: N'-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N-(2-thenyl)oxamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C(=O)NCC3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NCC3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C23H30N4O2S/c1-26-12-9-18-14-17(7-8-20(18)26)21(27-10-3-2-4-11-27)16-25-23(29)22(28)24-15-19-6-5-13-30-19/h5-8,13-14,21H,2-4,9-12,15-16H2,1H3,(H,24,28)(H,25,29)/p+1/t21-/m0/s1