[2-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]methylazanium

Systemtic Name: [2-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [2-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]phenyl]methylammonium IUPAC Name: [2-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzyl]ammonium Formula: C12H16N5O+ MolecularWeight: 246.28834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH3+])NC(=O)CCN2C=NC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C[NH3+])NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C12H15N5O/c13-7-10-3-1-2-4-11(10)16-12(18)5-6-17-9-14-8-15-17/h1-4,8-9H,5-7,13H2,(H,16,18)/p+1