N-tert-butyl-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxo-ethyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-keto-ethyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H29FN3O2S+ MolecularWeight: 418.547963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C22H28FN3O2S/c1-22(2,3)26(14-20(27)24-17-10-8-16(23)9-11-17)21(28)15-25-12-4-6-18(25)19-7-5-13-29-19/h5,7-11,13,18H,4,6,12,14-15H2,1-3H3,(H,24,27)/p+1/t18-/m1/s1