[3-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2R)-1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]benzyl]ammonium Formula: C13H17N4O+ MolecularWeight: 245.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C[NH3+])N2C=CC=N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C[NH3+])N2C=CC=N2

InChI

InChI=1S/C13H16N4O/c1-10(17-7-3-6-15-17)13(18)16-12-5-2-4-11(8-12)9-14/h2-8,10H,9,14H2,1H3,(H,16,18)/p+1/t10-/m1/s1