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

Systemtic Name: N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[1-(2-methylpropanoyl)indolin-5-yl]thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-[1-(2-methyl-1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[4-(1-isobutyrylindolin-5-yl)thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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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+]4CCCCC4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C22H28N4O2S/c1-15(2)21(28)26-11-8-17-12-16(6-7-19(17)26)18-14-29-22(23-18)24-20(27)13-25-9-4-3-5-10-25/h6-7,12,14-15H,3-5,8-11,13H2,1-2H3,(H,23,24,27)/p+1