N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholino-6-(3-thienyl)pyridin-1-ium-3-carboxamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-morpholinyl)-6-(3-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-6-thiophen-3-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholino-6-(3-thienyl)pyridin-1-ium-3-carboxamide Formula: C23H24N5O2S+ MolecularWeight: 434.53396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC(=[NH+]2)C3=CSC=C3)C(=O)NCCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COCCN1C2=C(C=CC(=[NH+]2)C3=CSC=C3)C(=O)NCCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H23N5O2S/c29-23(24-9-7-21-25-19-3-1-2-4-20(19)26-21)17-5-6-18(16-8-14-31-15-16)27-22(17)28-10-12-30-13-11-28/h1-6,8,14-15H,7,9-13H2,(H,24,29)(H,25,26)/p+1