N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-methylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-methylphenoxy)acetamide CAS Name: N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(1-methylindolin-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-methylphenoxy)acetamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NCC(C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC[C@H](C2=CC3=C(C=C2)N(CC3)C)[NH+]4CCCC4

InChI

InChI=1S/C24H31N3O2/c1-18-5-8-21(9-6-18)29-17-24(28)25-16-23(27-12-3-4-13-27)19-7-10-22-20(15-19)11-14-26(22)2/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3,(H,25,28)/p+1/t23-/m1/s1