N-(3-morpholin-4-ium-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C20H24N2O2S/c23-20(21-8-3-9-22-10-12-24-13-11-22)18-14-16-7-6-15-4-1-2-5-17(15)19(16)25-18/h1-2,4-5,14H,3,6-13H2,(H,21,23)/p+1