2-(5-methyl-2-propan-2-yl-phenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C23H33N2O2S+ MolecularWeight: 401.58532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2S/c1-17(2)19-10-9-18(3)14-21(19)27-16-23(26)24-15-20(22-8-7-13-28-22)25-11-5-4-6-12-25/h7-10,13-14,17,20H,4-6,11-12,15-16H2,1-3H3,(H,24,26)/p+1/t20-/m0/s1