2-(3,5-dimethylphenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3)C

InChI

InChI=1S/C20H26N2O2S/c1-15-10-16(2)12-17(11-15)24-14-20(23)21-13-18(19-6-5-9-25-19)22-7-3-4-8-22/h5-6,9-12,18H,3-4,7-8,13-14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1