N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2)[NH+]4CCOCC4

InChI

InChI=1S/C21H26N2O2S/c1-21(2,23-9-11-25-12-10-23)14-22-20(24)18-13-16-8-7-15-5-3-4-6-17(15)19(16)26-18/h3-6,13H,7-12,14H2,1-2H3,(H,22,24)/p+1