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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-(1-cyclohexylcarbonyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-[1-(cyclohexanecarbonyl)indolin-5-yl]-5-methyl-thiazol-2-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-[1-[cyclohexyl(oxo)methyl]-2,3-dihydroindol-5-yl]-5-methyl-2-thiazolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-[1-(cyclohexanecarbonyl)indolin-5-yl]-5-methyl-thiazol-2-yl]acetamide Formula: C27H37N4O2S+ MolecularWeight: 481.67328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C[NH+]2CCCCCC2)C3=CC4=C(C=C3)N(CC4)C(=O)C5CCCCC5

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C[NH+]2CCCCCC2)C3=CC4=C(C=C3)N(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C27H36N4O2S/c1-19-25(29-27(34-19)28-24(32)18-30-14-7-2-3-8-15-30)22-11-12-23-21(17-22)13-16-31(23)26(33)20-9-5-4-6-10-20/h11-12,17,20H,2-10,13-16,18H2,1H3,(H,28,29,32)/p+1