3,4,5-trimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3,4,5-trimethoxy-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C18H24N3O4S+ MolecularWeight: 378.46586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3

InChI

InChI=1S/C18H23N3O4S/c1-23-14-8-12(9-15(24-2)16(14)25-3)17(22)20-18-19-13(11-26-18)10-21-6-4-5-7-21/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,22)/p+1