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

Systemtic Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N-prop-2-enyl-ethanediamide Openeye Name: N-allyl-N'-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-N-prop-2-enyloxamide IUPAC Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]-N-prop-2-enyloxamide Traditional Name: N-allyl-N'-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C(=O)NCC=C)[NH+]3CCCCC3

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NCC=C)[NH+]3CCCCC3

InChI

InChI=1S/C21H30N4O2/c1-3-10-22-20(26)21(27)23-15-19(25-11-5-4-6-12-25)16-7-8-18-17(14-16)9-13-24(18)2/h3,7-8,14,19H,1,4-6,9-13,15H2,2H3,(H,22,26)(H,23,27)/p+1/t19-/m0/s1