1-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzotriazole-5-carboxamide Formula: C19H23N6O2+ MolecularWeight: 367.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)N=N1

InChI

InChI=1S/C19H22N6O2/c1-2-25-17-5-4-15(11-16(17)22-23-25)19(26)21-13-14-3-6-18(20-12-14)24-7-9-27-10-8-24/h3-6,11-12H,2,7-10,13H2,1H3,(H,21,26)/p+1