N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide CAS Name: N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide Traditional Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide Formula: C14H21N6O+ MolecularWeight: 289.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)CN2C=NC=N2

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)CN2C=NC=N2

InChI

InChI=1S/C14H20N6O/c1-3-19(4-2)14-12(6-5-7-16-14)8-17-13(21)9-20-11-15-10-18-20/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,21)/p+1