dimethyl-[2-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]acetyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[1-oxo-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]acetyl]amino]ethyl]ammonium Formula: C13H19N6O+ MolecularWeight: 275.32956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CC1=NC(=NN1)C2=CC=NC=C2

Isomeric SMILES

C[NH+](C)CCNC(=O)CC1=NC(=NN1)C2=CC=NC=C2

InChI

InChI=1S/C13H18N6O/c1-19(2)8-7-15-12(20)9-11-16-13(18-17-11)10-3-5-14-6-4-10/h3-6H,7-9H2,1-2H3,(H,15,20)(H,16,17,18)/p+1