2-(3-ethanoylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3-ethanoylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-acetylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-acetylphenoxy)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-acetylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-acetylphenoxy)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H26N2O3/c1-17(25)18-9-6-10-21(13-18)27-16-22(26)23-14-19-7-2-3-8-20(19)15-24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14-16H2,1H3,(H,23,26)/p+1