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

Systemtic Name: N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[1-(3,3-dimethylbutanoyl)indolin-5-yl]thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-[1-(3,3-dimethyl-1-oxobutyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-[1-(3,3-dimethylbutanoyl)indolin-5-yl]thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-23(2,3)13-21(29)27-11-8-17-12-16(6-7-19(17)27)18-15-30-22(24-18)25-20(28)14-26-9-4-5-10-26/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3,(H,24,25,28)/p+1