3-chloranyl-4,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-chloranyl-4,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3-chloro-4,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3-chloro-4,5-dimethoxy-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3-chloro-4,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3-chloro-4,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C18H23ClN3O3S+ MolecularWeight: 396.91152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)Cl)OC

InChI

InChI=1S/C18H22ClN3O3S/c1-24-15-9-12(8-14(19)16(15)25-2)17(23)21-18-20-13(11-26-18)10-22-6-4-3-5-7-22/h8-9,11H,3-7,10H2,1-2H3,(H,20,21,23)/p+1