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

Systemtic Name: N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[1-(2-methylpropanoyl)indolin-5-yl]thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-[1-(2-methyl-1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-(1-isobutyrylindolin-5-yl)thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C[NH+]4CCCC4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C[NH+]4CCCC4

InChI

InChI=1S/C21H26N4O2S/c1-14(2)20(27)25-10-7-16-11-15(5-6-18(16)25)17-13-28-21(22-17)23-19(26)12-24-8-3-4-9-24/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3,(H,22,23,26)/p+1