2-(2-methyl-5-propan-2-yl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(2-methyl-5-propan-2-yl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(5-isopropyl-2-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide CAS Name: 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]acetamide IUPAC Name: 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(5-isopropyl-2-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=NC(=CS2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=NC(=CS2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-15(2)17-8-7-16(3)19(11-17)26-13-20(25)23-21-22-18(14-27-21)12-24-9-5-4-6-10-24/h7-8,11,14-15H,4-6,9-10,12-13H2,1-3H3,(H,22,23,25)/p+1