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

Systemtic Name: N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[1-(3,3-dimethylbutanoyl)indolin-5-yl]-5-methyl-thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-[1-(3,3-dimethyl-1-oxobutyl)-2,3-dihydroindol-5-yl]-5-methyl-2-thiazolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[4-[1-(3,3-dimethylbutanoyl)indolin-5-yl]-5-methyl-thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C25H35N4O2S+ MolecularWeight: 455.636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C[NH+]2CCCCC2)C3=CC4=C(C=C3)N(CC4)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C[NH+]2CCCCC2)C3=CC4=C(C=C3)N(CC4)C(=O)CC(C)(C)C

InChI

InChI=1S/C25H34N4O2S/c1-17-23(27-24(32-17)26-21(30)16-28-11-6-5-7-12-28)19-8-9-20-18(14-19)10-13-29(20)22(31)15-25(2,3)4/h8-9,14H,5-7,10-13,15-16H2,1-4H3,(H,26,27,30)/p+1