N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-yl-phenoxy]ethanamide

Systemtic Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-yl-phenoxy]ethanamide Openeye Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-(2-thienyl)phenoxy]acetamide CAS Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[2-(1-pyrrolidin-1-iumylmethyl)-4-thiophen-2-ylphenoxy]acetamide IUPAC Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-ylphenoxy]acetamide Traditional Name: N-[(4-methylfurazan-3-yl)methyl]-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-(2-thienyl)phenoxy]acetamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NON=C1CNC(=O)COC2=C(C=C(C=C2)C3=CC=CS3)C[NH+]4CCCC4

Isomeric SMILES

CC1=NON=C1CNC(=O)COC2=C(C=C(C=C2)C3=CC=CS3)C[NH+]4CCCC4

InChI

InChI=1S/C21H24N4O3S/c1-15-18(24-28-23-15)12-22-21(26)14-27-19-7-6-16(20-5-4-10-29-20)11-17(19)13-25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,22,26)/p+1