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

Systemtic Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(3-methylphenyl)ethanediamide Openeye Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(m-tolyl)oxamide CAS Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-N'-(3-methylphenyl)oxamide IUPAC Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]-N'-(3-methylphenyl)oxamide Traditional Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(m-tolyl)oxamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=O)NC[C@@H](C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCCC4

InChI

InChI=1S/C25H32N4O2/c1-18-7-6-8-21(15-18)27-25(31)24(30)26-17-23(29-12-4-3-5-13-29)19-9-10-22-20(16-19)11-14-28(22)2/h6-10,15-16,23H,3-5,11-14,17H2,1-2H3,(H,26,30)(H,27,31)/p+1/t23-/m0/s1