N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[4-[1-(2-methylpropanoyl)indolin-5-yl]thiazol-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[4-[1-(2-methyl-1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[4-(1-isobutyrylindolin-5-yl)thiazol-2-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C21H26N4O3S/c1-14(2)20(27)25-6-5-16-11-15(3-4-18(16)25)17-13-29-21(22-17)23-19(26)12-24-7-9-28-10-8-24/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,22,23,26)/p+1