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

Systemtic Name: N-[4-(1-cyclopropylcarbonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[4-[1-(cyclopropanecarbonyl)indolin-5-yl]thiazol-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[4-[1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[4-[1-(cyclopropanecarbonyl)indolin-5-yl]thiazol-2-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)NC(=O)C[NH+]5CCOCC5

Isomeric SMILES

C1CC1C(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)NC(=O)C[NH+]5CCOCC5

InChI

InChI=1S/C21H24N4O3S/c26-19(12-24-7-9-28-10-8-24)23-21-22-17(13-29-21)15-3-4-18-16(11-15)5-6-25(18)20(27)14-1-2-14/h3-4,11,13-14H,1-2,5-10,12H2,(H,22,23,26)/p+1