N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(2-phenylethynyl)benzamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(2-phenylethynyl)benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(2-phenylethynyl)benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(2-phenylethynyl)benzamide Formula: C25H24N3O2+ MolecularWeight: 398.47696

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2/c29-25(23-11-8-21(9-12-23)7-6-20-4-2-1-3-5-20)27-19-22-10-13-24(26-18-22)28-14-16-30-17-15-28/h1-5,8-13,18H,14-17,19H2,(H,27,29)/p+1