N'-(4-ethoxyphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide

Systemtic Name: N'-(4-ethoxyphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-(4-ethoxyphenyl)-N-[(2S)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-(4-ethoxyphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(4-ethoxyphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]oxamide Traditional Name: N-[(2S)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-p-phenetyl-oxamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NC[C@H](C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCC4

InChI

InChI=1S/C25H32N4O3/c1-3-32-21-9-7-20(8-10-21)27-25(31)24(30)26-17-23(29-13-4-5-14-29)18-6-11-22-19(16-18)12-15-28(22)2/h6-11,16,23H,3-5,12-15,17H2,1-2H3,(H,26,30)(H,27,31)/p+1/t23-/m1/s1