N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-2-(4-propan-2-ylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-2-(4-propan-2-ylphenoxy)ethanamide Openeye Name: 2-(4-isopropylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide Traditional Name: 2-(4-isopropylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-17(2)18-8-10-19(11-9-18)26-16-22(25)23-15-20(21-7-6-14-27-21)24-12-4-3-5-13-24/h6-11,14,17,20H,3-5,12-13,15-16H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1