N-(2-morpholin-4-ium-4-ylethyl)-6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-6-(3-phenylpropyl)-5-thieno[2,3-b]pyrrolecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC3=C(N2CCCC4=CC=CC=C4)SC=C3

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC3=C(N2CCCC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C22H27N3O2S/c26-21(23-9-11-24-12-14-27-15-13-24)20-17-19-8-16-28-22(19)25(20)10-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,16-17H,4,7,9-15H2,(H,23,26)/p+1