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

Systemtic Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(thiophen-2-ylmethyl)ethanediamide Openeye Name: N'-[(2R)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(2-thienylmethyl)oxamide CAS Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N-(thiophen-2-ylmethyl)oxamide IUPAC Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-N-(thiophen-2-ylmethyl)oxamide Traditional Name: N'-[(2R)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-(2-thenyl)oxamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C(=O)NCC3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NCC3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C22H28N4O2S/c1-25-11-8-17-13-16(6-7-19(17)25)20(26-9-2-3-10-26)15-24-22(28)21(27)23-14-18-5-4-12-29-18/h4-7,12-13,20H,2-3,8-11,14-15H2,1H3,(H,23,27)(H,24,28)/p+1/t20-/m0/s1