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

Systemtic Name: N-[4-(1-cyclohexylcarbonyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[1-(cyclohexanecarbonyl)indolin-5-yl]-5-methyl-thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-[1-[cyclohexyl(oxo)methyl]-2,3-dihydroindol-5-yl]-5-methyl-2-thiazolyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-[1-(cyclohexanecarbonyl)indolin-5-yl]-5-methyl-thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C[NH+]2CCCC2)C3=CC4=C(C=C3)N(CC4)C(=O)C5CCCCC5

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C[NH+]2CCCC2)C3=CC4=C(C=C3)N(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C25H32N4O2S/c1-17-23(27-25(32-17)26-22(30)16-28-12-5-6-13-28)20-9-10-21-19(15-20)11-14-29(21)24(31)18-7-3-2-4-8-18/h9-10,15,18H,2-8,11-14,16H2,1H3,(H,26,27,30)/p+1