N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H23N3O2S/c27-23(20-13-18-7-6-17-3-1-2-4-19(17)22(18)29-20)25-15-16-5-8-21(24-14-16)26-9-11-28-12-10-26/h1-5,8,13-14H,6-7,9-12,15H2,(H,25,27)/p+1