[2-(3-pyrazol-1-ylpropanoylamino)phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O/c14-10-11-4-1-2-5-12(11)16-13(18)6-9-17-8-3-7-15-17/h1-5,7-8H,6,9-10,14H2,(H,16,18)/p+1