[4-[2-(1,2,4-triazol-1-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [4-[2-(1,2,4-triazol-1-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]methylammonium CAS Name: [4-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]phenyl]methylammonium IUPAC Name: [4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzyl]ammonium Formula: C11H14N5O+ MolecularWeight: 232.26176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH3+])NC(=O)CN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C[NH3+])NC(=O)CN2C=NC=N2

InChI

InChI=1S/C11H13N5O/c12-5-9-1-3-10(4-2-9)15-11(17)6-16-8-13-7-14-16/h1-4,7-8H,5-6,12H2,(H,15,17)/p+1