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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=C([NH+]=C(C=C3)C4=CSC=C4)N5CCOCC5

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=C([NH+]=C(C=C3)C4=CSC=C4)N5CCOCC5

InChI

InChI=1S/C23H23N5O2S/c1-15(21-25-19-4-2-3-5-20(19)26-21)24-23(29)17-6-7-18(16-8-13-31-14-16)27-22(17)28-9-11-30-12-10-28/h2-8,13-15H,9-12H2,1H3,(H,24,29)(H,25,26)/p+1/t15-/m0/s1