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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O2S/c1-13-9-15(5-6-16(13)19)24-11-17(23)21-18-20-14(12-25-18)10-22-7-3-2-4-8-22/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,21,23)/p+1