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

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCC3)C

InChI

InChI=1S/C21H28N2O2S/c1-16-8-6-9-19(17(16)2)25-15-21(24)22-14-18(20-10-7-13-26-20)23-11-4-3-5-12-23/h6-10,13,18H,3-5,11-12,14-15H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1