N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C23H25N2O2S2+ MolecularWeight: 425.5868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCC(C4=CC=CS4)[NH+]5CCOCC5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC[C@@H](C4=CC=CS4)[NH+]5CCOCC5

InChI

InChI=1S/C23H24N2O2S2/c26-23(21-14-17-8-7-16-4-1-2-5-18(16)22(17)29-21)24-15-19(20-6-3-13-28-20)25-9-11-27-12-10-25/h1-6,13-14,19H,7-12,15H2,(H,24,26)/p+1/t19-/m0/s1