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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H21N6O2+ MolecularWeight: 365.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C19H20N6O2/c26-19(16-2-4-17(5-3-16)25-14-20-13-23-25)22-12-15-1-6-18(21-11-15)24-7-9-27-10-8-24/h1-6,11,13-14H,7-10,12H2,(H,22,26)/p+1