N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)C

InChI

InChI=1S/C22H28N2OS/c1-21(2)12-16(13-22(3,4)24-21)23-20(25)18-11-15-10-9-14-7-5-6-8-17(14)19(15)26-18/h5-8,11,16,24H,9-10,12-13H2,1-4H3,(H,23,25)/p+1