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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-[1-(2-methylpropanoyl)indolin-5-yl]thiazol-2-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-[1-(2-methyl-1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(1-isobutyrylindolin-5-yl)thiazol-2-yl]acetamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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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+]4CCCCCC4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C23H30N4O2S/c1-16(2)22(29)27-12-9-18-13-17(7-8-20(18)27)19-15-30-23(24-19)25-21(28)14-26-10-5-3-4-6-11-26/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,24,25,28)/p+1